[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol

C22H27NO — CID 12519321

IUPAC[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C22H27NO/c24-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-14-16-23-15-8-7-13-21(23)17-20/h1-6,9-12,20-21,24H,7-8,13-17H2/t20-,21-/m1/s1
InChIKeyUAWNIIAGZSPONT-NHCUHLMSSA-N
MW321.46 g/mol
LogP4.19
Rot. Bonds3

About [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol

[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol (PubChem CID 12519321) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol
PubChem CID12519321
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C22H27NO/c24-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-14-16-23-15-8-7-13-21(23)17-20/h1-6,9-12,20-21,24H,7-8,13-17H2/t20-,21-/m1/s1
InChIKeyUAWNIIAGZSPONT-NHCUHLMSSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol with MolForge

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Related Compounds

[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
1-(3-phenylcyclohexyl)piperidine
CID 163210314
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568
(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 12783916
1-(3-tritylsulfanylcyclobutyl)piperidine
CID 25054157
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-bis[4-(trifluoromethyl)phenyl]methanol;hydrochloride
CID 19360846

Frequently Asked Questions

What is the IUPAC name of [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol?
The IUPAC name of [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol (CID 12519321) is [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1CCN2CCCC[C@@H]2C1.
What is the InChIKey of [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol?
The InChIKey is UAWNIIAGZSPONT-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H27NO/c24-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-14-16-23-15-8-7-13-21(23)17-20/h1-6,9-12,20-21,24H,7-8,13-17H2/t20-,21-/m1/s1.
What are the key properties of [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol?
[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol has a molecular weight of 321.46 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-diphenylmethanol is sourced from PubChem (CID 12519321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).