PDB Chemical Component AT2

Ideal Model

Chemical Description

Name ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
Formula C14 H21 N3 O2
Formal charge 0
Molecular weight 263.335 g/mol
Component type NON-POLYMER

Chemical features

Atom count 40
Chiral atom count 0
Bond count 41
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
Systematic name (OpenEye OEToolkits) ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate

Chemical Descriptors

Stereo SMILES (CACTVS) CCOC(=O)N1CCC(CC1)Nc2cc(C)ccn2
SMILES (CACTVS) CCOC(=O)N1CCC(CC1)Nc2cc(C)ccn2
Stereo SMILES (OpenEye) CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C
InChI descriptor InChI=1/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)/f/h16H
InChIKey descriptor LNRMJBWADUSJTA-WYUMXYHSCX

Status Information

Last modified 2008-10-14
Created 2005-08-04
Release status REL
Processing site RCSB