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1263274-26-5 | 4-Piperidinecarboxylic acid, 4-cyano-2-methyl-1-(phenylmethyl)-, ethyl ester, (2S)-
CAS No: 1263274-26-5 Catalog No: AG000SK2 MDL No:
Product Description
Catalog Number:
AG000SK2
Chemical Name:
4-Piperidinecarboxylic acid, 4-cyano-2-methyl-1-(phenylmethyl)-, ethyl ester, (2S)-
CAS Number:
1263274-26-5
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
ethyl (2S)-1-benzyl-4-cyano-2-methylpiperidine-4-carboxylate
InChI:
InChI=1S/C17H22N2O2/c1-3-21-16(20)17(13-18)9-10-19(14(2)11-17)12-15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3/t14-,17?/m0/s1
InChI Key:
SIEAIBCTUHYJQF-MBIQTGHCSA-N
SMILES:
CCOC(=O)C1(C#N)CCN([C@H](C1)C)Cc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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