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887442-22-0 | 1-(3-PYRIDINYLMETHYL)-4-PIPERIDINECARBOXYLIC ACID
CAS No: 887442-22-0 Catalog No: AG004F5R MDL No:MFCD03371464
Product Description
Catalog Number:
AG004F5R
Chemical Name:
1-(3-PYRIDINYLMETHYL)-4-PIPERIDINECARBOXYLIC ACID
CAS Number:
887442-22-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD03371464
IUPAC Name:
1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C12H16N2O2/c15-12(16)11-3-6-14(7-4-11)9-10-2-1-5-13-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H,15,16)
InChI Key:
TVWPPUXVVVXIDU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1cccnc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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