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24860-77-3 | 2-Butanone, 1-hydroxy-1,1-diphenyl-4-(1-piperidinyl)-
CAS No: 24860-77-3 Catalog No: AG002PP4 MDL No:
Product Description
Catalog Number:
AG002PP4
Chemical Name:
2-Butanone, 1-hydroxy-1,1-diphenyl-4-(1-piperidinyl)-
CAS Number:
24860-77-3
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
1-hydroxy-1,1-diphenyl-4-piperidin-1-ylbutan-2-one
InChI:
InChI=1S/C21H25NO2/c23-20(14-17-22-15-8-3-9-16-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
InChI Key:
NHQUCELQNYNWER-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)(c1ccccc1)O)CCN1CCCCC1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.436g/mol
Monoisotopic Mass:
323.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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