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L02 : Summary
Code ![](/pdbe/static/images/help.png)
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L02
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C14 H16 Cl N3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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261.75 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1ccc(cc1)c2nnc(c2)C3CCNCC3 |
SMILES
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CACTVS |
3.341 |
Clc1ccc(cc1)c2cc([nH]n2)C3CCNCC3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl |
Canonical SMILES
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CACTVS |
3.341 |
Clc1ccc(cc1)c2cc([nH]n2)C3CCNCC3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GELALLNTKKLQLM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (18 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2004-10-28
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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