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824977-86-8 | 1-Butanone, 1-(4-methylphenyl)-3-(1-piperidinyl)-, (3S)-
CAS No: 824977-86-8 Catalog No: AG004ZFA MDL No:
Product Description
Catalog Number:
AG004ZFA
Chemical Name:
1-Butanone, 1-(4-methylphenyl)-3-(1-piperidinyl)-, (3S)-
CAS Number:
824977-86-8
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
IUPAC Name:
(3S)-1-(4-methylphenyl)-3-piperidin-1-ylbutan-1-one
InChI:
InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)12-14(2)17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3/t14-/m0/s1
InChI Key:
LHUXOLIHPBFFPS-AWEZNQCLSA-N
SMILES:
C[C@H](N1CCCCC1)CC(=O)c1ccc(cc1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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