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

C15H21NO — CID 24845925

IUPAC(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
SMILESO[C@]1(c2ccccc2)CC[C@@H]2CCCCN2C1
InChIInChI=1S/C15H21NO/c17-15(13-6-2-1-3-7-13)10-9-14-8-4-5-11-16(14)12-15/h1-3,6-7,14,17H,4-5,8-12H2/t14-,15+/m0/s1
InChIKeyTWAWRAWYIIDKAQ-LSDHHAIUSA-N
MW231.34 g/mol
LogP2.52
Rot. Bonds1

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

(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol (PubChem CID 24845925) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol.

Molecular Properties

Compound Name(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
PubChem CID24845925
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
SMILESO[C@]1(c2ccccc2)CC[C@@H]2CCCCN2C1
InChIInChI=1S/C15H21NO/c17-15(13-6-2-1-3-7-13)10-9-14-8-4-5-11-16(14)12-15/h1-3,6-7,14,17H,4-5,8-12H2/t14-,15+/m0/s1
InChIKeyTWAWRAWYIIDKAQ-LSDHHAIUSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol
CID 91168784
6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine
CID 58567903
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
2-[4-[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 97195686
3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol
CID 59036221
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
1-cyclopropyl-4-(4-phenylphenyl)piperidin-4-ol
CID 10493965
4-hydroxy-4-phenylcyclohexane-1-carboxylic acid
CID 58909501
1-[(3-cyclohexylimidazol-4-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 91840279
(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 129396439

Frequently Asked Questions

What is the IUPAC name of (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
The IUPAC name of (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol (CID 24845925) is (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol.
What is the SMILES notation for (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
The canonical SMILES for (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol is O[C@]1(c2ccccc2)CC[C@@H]2CCCCN2C1.
What is the InChIKey of (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
The InChIKey is TWAWRAWYIIDKAQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(13-6-2-1-3-7-13)10-9-14-8-4-5-11-16(14)12-15/h1-3,6-7,14,17H,4-5,8-12H2/t14-,15+/m0/s1.
What are the key properties of (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol is sourced from PubChem (CID 24845925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).