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123730-67-6 | 4-Piperidinecarboxylic acid, 4-cyano-1-(phenylmethyl)-, ethyl ester
CAS No: 123730-67-6 Catalog No: AG000L04 MDL No:MFCD09999241
Product Description
Catalog Number:
AG000L04
Chemical Name:
4-Piperidinecarboxylic acid, 4-cyano-1-(phenylmethyl)-, ethyl ester
CAS Number:
123730-67-6
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
MDL Number:
MFCD09999241
IUPAC Name:
ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate
InChI:
InChI=1S/C16H20N2O2/c1-2-20-15(19)16(13-17)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-12H2,1H3
InChI Key:
FPMGPVRBKDTWFD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCN(CC1)Cc1ccccc1)C#N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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