Chemical Components in the PDB

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AXG : Summary

Code

AXG

One-letter code

X

Molecule name

1-(phenylmethyl)-4-pyrrol-1-yl-piperidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine

Formula

C16 H20 N2

Formal charge

0

Molecular weight

240.343 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C1CN(CCC1n2cccc2)Cc3ccccc3
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)CN2CCC(CC2)n3cccc3
Canonical SMILES CACTVS 3.385 C1CN(CCC1n2cccc2)Cc3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)CN2CCC(CC2)n3cccc3

IUPAC InChI

InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2

IUPAC InChI key

UPRFZLANTXURKF-UHFFFAOYSA-N
AXG

wwPDB Information

Atom count

38 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-28

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned