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1823499-87-1 | 4-Piperidinecarboxylic acid, 1-(3-pyridinyl)-, methyl ester
CAS No: 1823499-87-1 Catalog No: AG0023OH MDL No:
Product Description
Catalog Number:
AG0023OH
Chemical Name:
4-Piperidinecarboxylic acid, 1-(3-pyridinyl)-, methyl ester
CAS Number:
1823499-87-1
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
methyl 1-pyridin-3-ylpiperidine-4-carboxylate
InChI:
InChI=1S/C12H16N2O2/c1-16-12(15)10-4-7-14(8-5-10)11-3-2-6-13-9-11/h2-3,6,9-10H,4-5,7-8H2,1H3
InChI Key:
SZTWJVGZVNOZPK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)c1cccnc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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