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161610-16-8 | 1-Piperidinecarboxylic acid, 4-hydroxy-4-(2-pyridinyl)-, phenylmethyl ester
CAS No: 161610-16-8 Catalog No: AG001VQH MDL No:
Product Description
Catalog Number:
AG001VQH
Chemical Name:
1-Piperidinecarboxylic acid, 4-hydroxy-4-(2-pyridinyl)-, phenylmethyl ester
CAS Number:
161610-16-8
Molecular Formula:
C18H20N2O3
Molecular Weight:
312.3630
IUPAC Name:
benzyl 4-hydroxy-4-pyridin-2-ylpiperidine-1-carboxylate
InChI:
InChI=1S/C18H20N2O3/c21-17(23-14-15-6-2-1-3-7-15)20-12-9-18(22,10-13-20)16-8-4-5-11-19-16/h1-8,11,22H,9-10,12-14H2
InChI Key:
CNTQPTBRKWUGFU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(O)c1ccccn1)OCc1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.369g/mol
Monoisotopic Mass:
312.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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