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188591-61-9 | 1-Propanone, 2-(4-hydroxy-4-phenyl-1-piperidinyl)-1-[4-(phenylmethoxy)phenyl]-
CAS No: 188591-61-9 Catalog No: AG002H13 MDL No:
Product Description
Catalog Number:
AG002H13
Chemical Name:
1-Propanone, 2-(4-hydroxy-4-phenyl-1-piperidinyl)-1-[4-(phenylmethoxy)phenyl]-
CAS Number:
188591-61-9
Molecular Formula:
C27H29NO3
Molecular Weight:
415.5241
IUPAC Name:
2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)propan-1-one
InChI:
InChI=1S/C27H29NO3/c1-21(28-18-16-27(30,17-19-28)24-10-6-3-7-11-24)26(29)23-12-14-25(15-13-23)31-20-22-8-4-2-5-9-22/h2-15,21,30H,16-20H2,1H3
InChI Key:
LRXIEGZMKNGPLB-UHFFFAOYSA-N
SMILES:
O=C(C(N1CCC(CC1)(O)c1ccccc1)C)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.215g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.533g/mol
Monoisotopic Mass:
415.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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