PDB Chemical Component 4FP

Ideal Model

Chemical Description

Name 4-(4-FLUOROBENZYL)PIPERIDINE
Formula C12 H16 F N
Formal charge 0
Molecular weight 193.261 g/mol
Component type NON-POLYMER

Chemical features

Atom count 30
Chiral atom count 0
Bond count 31
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) 4-(4-fluorobenzyl)piperidine
Systematic name (OpenEye OEToolkits) 4-[(4-fluorophenyl)methyl]piperidine

Chemical Descriptors

Stereo SMILES (CACTVS) Fc1ccc(CC2CCNCC2)cc1
SMILES (CACTVS) Fc1ccc(CC2CCNCC2)cc1
Stereo SMILES (OpenEye) c1cc(ccc1CC2CCNCC2)F
InChI descriptor InChI=1/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
InChIKey descriptor JLAKCHGEEBPDQI-UHFFFAOYAB

Status Information

Last modified 2008-10-14
Created 2007-01-12
Release status REL
Processing site PDBJ