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127293-57-6 | 1-Piperidineethanol, α-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-, (αR)-
CAS No: 127293-57-6 Catalog No: AG000WWH MDL No:
Product Description
Catalog Number:
AG000WWH
Chemical Name:
1-Piperidineethanol, α-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-, (αR)-
CAS Number:
127293-57-6
Molecular Formula:
C20H23ClFNO
Molecular Weight:
347.8541
IUPAC Name:
(1R)-1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
InChI:
InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2/t20-/m0/s1
InChI Key:
GGUSQTSTQSHJAH-FQEVSTJZSA-N
SMILES:
Fc1ccc(cc1)CC1CCN(CC1)C[C@@H](c1ccc(cc1)Cl)O
UNII:
8IUT8OM421
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.858g/mol
Monoisotopic Mass:
347.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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