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1315335-16-0 | 1-Piperidinecarboxylic acid, 4-(2-chloro-3-pyridinyl)-4-cyano-, 1,1-dimethylethyl ester
CAS No: 1315335-16-0 Catalog No: AG000ZCB MDL No:
Product Description
Catalog Number:
AG000ZCB
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-chloro-3-pyridinyl)-4-cyano-, 1,1-dimethylethyl ester
CAS Number:
1315335-16-0
Molecular Formula:
C16H20ClN3O2
Molecular Weight:
321.8019
IUPAC Name:
tert-butyl 4-(2-chloropyridin-3-yl)-4-cyanopiperidine-1-carboxylate
InChI:
InChI=1S/C16H20ClN3O2/c1-15(2,3)22-14(21)20-9-6-16(11-18,7-10-20)12-5-4-8-19-13(12)17/h4-5,8H,6-7,9-10H2,1-3H3
InChI Key:
WEKDZLAYEVGPGH-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)C(=O)OC(C)(C)C)c1cccnc1Cl
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.805g/mol
Monoisotopic Mass:
321.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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