2H-Quinolizin-2-axial-ol, octahydro-2-equatorial-(4-chlorophenyl)-

HCID 93754

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Basic information

CAS: 57661-25-3
Standard SMILES: OC1(c2ccc(Cl)cc2)CCN2CCCC[C@H]2C1
InChIKey: LVBVOBFVWHLTBG-MLCCFXAWSA-N
Molecular formula: C15H20ClNO
Average molar mass: 265.78 g/mol
Monoisotopic mass: 265.123342

Names & identifiers

Preferred name: 2H-Quinolizin-2-axial-ol, octahydro-2-equatorial-(4-chlorophenyl)-
IUPAC: (9aS)-2-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol

Names & synonyms

57661-25-32H-Quinolizin-2-axial-ol, octahydro-2-equatorial-(4-chlorophenyl)-RefChem:10653302H-Quinolizine, 2-equatorial-(4-chlorophenyl)-2-axial-hydroxy-2-axial-Hydroxy-2-equatorial-(4-chlorophenyl)quinolizidine

Database identifiers

CAS: 57661-25-3
PubChem CID: 93754

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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