(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol

C15H20ClNO — CID 129396439

IUPAC(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
SMILESO[C@]1(c2cccc(Cl)c2)CCN2CCCC[C@H]2C1
InChIInChI=1S/C15H20ClNO/c16-13-5-3-4-12(10-13)15(18)7-9-17-8-2-1-6-14(17)11-15/h3-5,10,14,18H,1-2,6-9,11H2/t14-,15+/m0/s1
InChIKeyNSYPKASBYLRUNW-LSDHHAIUSA-N
MW265.78 g/mol
LogP3.18
Rot. Bonds1

About (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol

(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol (PubChem CID 129396439) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol.

Molecular Properties

Compound Name(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
PubChem CID129396439
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
SMILESO[C@]1(c2cccc(Cl)c2)CCN2CCCC[C@H]2C1
InChIInChI=1S/C15H20ClNO/c16-13-5-3-4-12(10-13)15(18)7-9-17-8-2-1-6-14(17)11-15/h3-5,10,14,18H,1-2,6-9,11H2/t14-,15+/m0/s1
InChIKeyNSYPKASBYLRUNW-LSDHHAIUSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol with MolForge

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Related Compounds

2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 165347131
4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 94121152
1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 91314035
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 24845925
N-[1-(3-chlorophenyl)cyclopropyl]cyclopentanamine
CID 115901876
4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol
CID 170108590
7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 106971642
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
bis[2-amino-1-(3-chlorophenyl)cyclohexyl]methanone
CID 151582814

Frequently Asked Questions

What is the IUPAC name of (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The IUPAC name of (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol (CID 129396439) is (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol.
What is the SMILES notation for (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The canonical SMILES for (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol is O[C@]1(c2cccc(Cl)c2)CCN2CCCC[C@H]2C1.
What is the InChIKey of (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
The InChIKey is NSYPKASBYLRUNW-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-5-3-4-12(10-13)15(18)7-9-17-8-2-1-6-14(17)11-15/h3-5,10,14,18H,1-2,6-9,11H2/t14-,15+/m0/s1.
What are the key properties of (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol?
(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol has a molecular weight of 265.78 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol is sourced from PubChem (CID 129396439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).