2-(4-Chlorophenyl)octahydro-2H-quinolizin-2-ol

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Basic information

CAS: 57661-24-2
Standard SMILES: O[C@]1(c2ccc(Cl)cc2)CCN2CCCC[C@@H]2C1
InChIKey: LVBVOBFVWHLTBG-HUUCEWRRSA-N
Molecular formula: C15H20ClNO
Average molar mass: 265.78 g/mol
Monoisotopic mass: 265.123342

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)octahydro-2H-quinolizin-2-ol
IUPAC: (2R,9aR)-2-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
English name: 2H-Quinolizine, 2-axial-(4-chlorophenyl)-2-equatorial-hydroxy-octahydr o-
Molecular formula: C15H20ClNO
Molecular weight: 265.78

Names & synonyms

57661-24-2DTXSID309732532-(4-Chlorophenyl)octahydro-2H-quinolizin-2-olRefChem:1061224DTXCID001400708(2r,9ar)-2-(4-chlorophenyl)octahydro-2h-quinolizin-2-ol2-equatorial-Hydroxy-2-axial-(4-chlorophenyl)quinolizidine2H-Quinolizin-2-equatorial-ol, octahydro-2-axial-(4-chlorophenyl)-2H-Quinolizine, 2-axial-(4-chlorophenyl)-2-equatorial-hydroxy-octahydro-2H-Quinolizin-2-ol, 2-(4-chlorophenyl)octahydro-, trans- (9CI)2H-Quinolizine, 2-axial-(4-chlorophenyl)-2-equatorial-hydroxy-octahydr o-

Database identifiers

CAS: 57661-24-2
PubChem CID: 93753
DTXSID: DTXSID30973253

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 290

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Compound notes

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