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102005-09-4 | 1-Butanone, 4-hydroxy-4-phenyl-1-(1-piperidinyl)-
CAS No: 102005-09-4 Catalog No: AG0006AY MDL No:
Product Description
Catalog Number:
AG0006AY
Chemical Name:
1-Butanone, 4-hydroxy-4-phenyl-1-(1-piperidinyl)-
CAS Number:
102005-09-4
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
4-hydroxy-4-phenyl-1-piperidin-1-ylbutan-1-one
InChI:
InChI=1S/C15H21NO2/c17-14(13-7-3-1-4-8-13)9-10-15(18)16-11-5-2-6-12-16/h1,3-4,7-8,14,17H,2,5-6,9-12H2
InChI Key:
LCPKPMYUYFGJQQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)CCC(c1ccccc1)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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