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Home > Pyridines > 1179886-87-3
1179886-87-3 | 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methyl-1,2-dihydropyridin-2-one
CAS No: 1179886-87-3 Catalog No: AG01A9NX MDL No:MFCD12890190
Product Description
Catalog Number:
AG01A9NX
Chemical Name:
4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methyl-1,2-dihydropyridin-2-one
CAS Number:
1179886-87-3
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD12890190
IUPAC Name:
4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
InChI:
InChI=1S/C13H18N2O3/c1-14-5-4-11(8-12(14)17)13(18)15-6-2-10(9-16)3-7-15/h4-5,8,10,16H,2-3,6-7,9H2,1H3
InChI Key:
JCYLFIAOTOOSAY-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)C(=O)c1ccn(c(=O)c1)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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