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24944-00-1 | Piperidine, 1-(2-methyl-1-oxo-2-propenyl)-2-(3-pyridinyl)-, (S)- (9CI)
CAS No: 24944-00-1 Catalog No: AG002PY1 MDL No:
Product Description
Catalog Number:
AG002PY1
Chemical Name:
Piperidine, 1-(2-methyl-1-oxo-2-propenyl)-2-(3-pyridinyl)-, (S)- (9CI)
CAS Number:
24944-00-1
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
2-methyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]prop-2-en-1-one
InChI:
InChI=1S/C14H18N2O/c1-11(2)14(17)16-9-4-3-7-13(16)12-6-5-8-15-10-12/h5-6,8,10,13H,1,3-4,7,9H2,2H3/t13-/m0/s1
InChI Key:
AQNZWMXDMYPJIY-ZDUSSCGKSA-N
SMILES:
CC(=C)C(=O)N1CCCC[C@H]1c1cccnc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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