![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
JRB : Summary
Code ![](/pdbe/static/images/help.png)
|
JRB
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-PIPERAZIN-1-YL-ANILINE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H15 N3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
177.246 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
c1c(c(ccc1)N2CCNCC2)N |
SMILES
|
CACTVS |
3.385 |
Nc1ccccc1N2CCNCC2 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)N)N2CCNCC2 |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1ccccc1N2CCNCC2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)N)N2CCNCC2 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | TZWRXFPFRACRLO-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
28 (13 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2014-12-04
|
Last modified at ![](/pdbe/static/images/help.png)
|
2015-05-08
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|