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88131-79-7 | Piperidine, 1-(2,2-diethyl-1-oxobutyl)-4-phenyl-
CAS No: 88131-79-7 Catalog No: AG004DIY MDL No:
Product Description
Catalog Number:
AG004DIY
Chemical Name:
Piperidine, 1-(2,2-diethyl-1-oxobutyl)-4-phenyl-
CAS Number:
88131-79-7
Molecular Formula:
C19H29NO
Molecular Weight:
287.4397
IUPAC Name:
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
InChI:
InChI=1S/C19H29NO/c1-4-19(5-2,6-3)18(21)20-14-12-17(13-15-20)16-10-8-7-9-11-16/h7-11,17H,4-6,12-15H2,1-3H3
InChI Key:
ZKWQYZXBFYPKGQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)N1CCC(CC1)c1ccccc1)(CC)CC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.225g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.447g/mol
Monoisotopic Mass:
287.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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