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1171204-54-8 | 3-Piperidinecarboxylic acid, 1-(2-pyridinylmethyl)-, hydrochloride (1:2)
CAS No: 1171204-54-8 Catalog No: AG000DQW MDL No:MFCD06801257
Product Description
Catalog Number:
AG000DQW
Chemical Name:
3-Piperidinecarboxylic acid, 1-(2-pyridinylmethyl)-, hydrochloride (1:2)
CAS Number:
1171204-54-8
Molecular Formula:
C12H18Cl2N2O2
Molecular Weight:
293.1895
MDL Number:
MFCD06801257
IUPAC Name:
1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C12H16N2O2.2ClH/c15-12(16)10-4-3-7-14(8-10)9-11-5-1-2-6-13-11;;/h1-2,5-6,10H,3-4,7-9H2,(H,15,16);2*1H
InChI Key:
LJDDCUQZFRNVKX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)Cc1ccccn1.Cl.Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.188g/mol
Monoisotopic Mass:
292.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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