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T1M : Summary
Code ![](/pdbe/static/images/help.png)
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T1M
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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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(2R,3R)-1-benzyl-2-methylpiperidin-3-ol
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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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C13 H19 N O
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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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205.296 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 |
12.01 |
c2(CN1C(C)C(CCC1)O)ccccc2 |
SMILES
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CACTVS |
3.385 |
C[CH]1[CH](O)CCCN1Cc2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1C(CCCN1Cc2ccccc2)O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H]1[C@@H](O)CCCN1Cc2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@@H]1[C@H](CCCN1Cc2ccccc2)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZFJGRVQFTNBLRP-YPMHNXCESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (15 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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2020-03-16
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Last modified at ![](/pdbe/static/images/help.png)
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2020-03-20
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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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