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Home > Pyridines > 1004529-41-2
1004529-41-2 | Piperidin-4-yl-pyridin-3-yl-methanonehydrochloride
CAS No: 1004529-41-2 Catalog No: AG00H98B MDL No:MFCD11506539
Product Description
Catalog Number:
AG00H98B
Chemical Name:
Piperidin-4-yl-pyridin-3-yl-methanonehydrochloride
CAS Number:
1004529-41-2
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
MDL Number:
MFCD11506539
IUPAC Name:
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
InChI:
InChI=1S/C11H14N2O.ClH/c14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10;/h1-2,5,8-9,12H,3-4,6-7H2;1H
InChI Key:
VHMXLGUEKBKKGZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)C1CCNCC1.Cl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.704g/mol
Monoisotopic Mass:
226.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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