2H-Quinolizin-2-equatorial-ol, octahydro-2-axial-(3-chlorophenyl)-

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Basic information

CAS: 57661-28-6
Standard SMILES: OC1(c2cccc(Cl)c2)CCN2CCCC[C@@H]2C1
InChIKey: NSYPKASBYLRUNW-GICMACPYSA-N
Molecular formula: C15H20ClNO
Average molar mass: 265.78 g/mol
Monoisotopic mass: 265.123342

Names & identifiers

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

Names & synonyms

57661-28-62H-Quinolizin-2-equatorial-ol, octahydro-2-axial-(3-chlorophenyl)-RefChem:10653332H-Quinolizine, 2-axial-(3-chlorophenyl)-2-equatorial-hydroxy-(9ar)-2-(3-chlorophenyl)octahydro-2h-quinolizin-2-ol2-equatorial-Hydroxy-2-axial-(3-chlorophenyl)quinolizidineDTXSID509732552-(3-chlorophenyl)octahydro-2h-quinolizin-2-ol

Database identifiers

CAS: 57661-28-6
PubChem CID: 93757
DTXSID: DTXSID50973255

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: 298

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Compound notes

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