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119387-63-2 | 1-Piperidinepropanol, α-[3(or 4)-hydroxycyclohexyl]-α-phenyl- (9CI)
CAS No: 119387-63-2 Catalog No: AG000IO3 MDL No:
Product Description
Catalog Number:
AG000IO3
Chemical Name:
1-Piperidinepropanol, α-[3(or 4)-hydroxycyclohexyl]-α-phenyl- (9CI)
CAS Number:
119387-63-2
Molecular Formula:
C20H31NO2
Molecular Weight:
317.4656
IUPAC Name:
3-(1-hydroxy-1-phenyl-3-piperidin-1-ylpropyl)cyclohexan-1-ol
InChI:
InChI=1S/C20H31NO2/c22-19-11-7-10-18(16-19)20(23,17-8-3-1-4-9-17)12-15-21-13-5-2-6-14-21/h1,3-4,8-9,18-19,22-23H,2,5-7,10-16H2
InChI Key:
NADKOXAXSRMLEH-UHFFFAOYSA-N
SMILES:
OC1CCCC(C1)C(c1ccccc1)(CCN1CCCCC1)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.235g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.473g/mol
Monoisotopic Mass:
317.235g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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