Chemical Components in the PDB

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SNV : Summary

Code

SNV

One-letter code

X

Molecule name

2-[4-(2-aminophenyl)piperazin-1-yl]ethanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol

Formula

C12 H19 N3 O

Formal charge

0

Molecular weight

221.299 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ccccc1N2CCN(CCO)CC2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)N)N2CCN(CC2)CCO
Canonical SMILES CACTVS 3.385 Nc1ccccc1N2CCN(CCO)CC2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)N)N2CCN(CC2)CCO

IUPAC InChI

InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2

IUPAC InChI key

YZRHRBADADYIFX-UHFFFAOYSA-N
SNV

wwPDB Information

Atom count

35 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned