Chemical Components in the PDB

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VU9 : Summary

Code

VU9

One-letter code

X

Molecule name

1-phenylpiperazine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-phenylpiperazine
OpenEye OEToolkits 2.0.7 1-phenylpiperazine

Formula

C10 H14 N2

Formal charge

0

Molecular weight

162.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(ccc1)N1CCNCC1
SMILES CACTVS 3.385 C1CN(CCN1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)N2CCNCC2
Canonical SMILES CACTVS 3.385 C1CN(CCN1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)N2CCNCC2

IUPAC InChI

InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2

IUPAC InChI key

YZTJYBJCZXZGCT-UHFFFAOYSA-N
VU9

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-02

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned