3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine

C24H31NO — CID 42641920

IUPAC3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine
SMILESCC1(OCc2ccccc2)CCN2CC(C)(c3ccccc3)CCC2C1
InChIInChI=1S/C24H31NO/c1-23(21-11-7-4-8-12-21)14-13-22-17-24(2,15-16-25(22)19-23)26-18-20-9-5-3-6-10-20/h3-12,22H,13-19H2,1-2H3
InChIKeyPMOVSKFSEWFFTE-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.18
Rot. Bonds4

About 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine

3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine (PubChem CID 42641920) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine
PubChem CID42641920
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine
SMILESCC1(OCc2ccccc2)CCN2CC(C)(c3ccccc3)CCC2C1
InChIInChI=1S/C24H31NO/c1-23(21-11-7-4-8-12-21)14-13-22-17-24(2,15-16-25(22)19-23)26-18-20-9-5-3-6-10-20/h3-12,22H,13-19H2,1-2H3
InChIKeyPMOVSKFSEWFFTE-UHFFFAOYSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenylpyraline
CID 3103
Diphenylpyraline Hydrochloride
CID 66063
med.21724, Compound Benztropine
CID 1201549
Ethybenztropine
CID 20055089
Hepzidine
CID 70593
1'-Benzylspiro[isochroman-1,4'-piperidine]
CID 10266413
3-(Diphenylmethoxy)-8-methyl-8-azabicyclo(3.2.1)octane
CID 2344
1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
1-Benzhydryl-4-methoxy-4-phenylpiperidine
CID 10043898
1-Benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
CID 10388166
1''-(2-phenylethyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10379651

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine?
The IUPAC name of 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine (CID 42641920) is 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine?
The canonical SMILES for 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine is CC1(OCc2ccccc2)CCN2CC(C)(c3ccccc3)CCC2C1.
What is the InChIKey of 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine?
The InChIKey is PMOVSKFSEWFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-23(21-11-7-4-8-12-21)14-13-22-17-24(2,15-16-25(22)19-23)26-18-20-9-5-3-6-10-20/h3-12,22H,13-19H2,1-2H3.
What are the key properties of 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine?
3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine has a molecular weight of 349.52 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-3-phenyl-8-phenylmethoxy-2,4,6,7,9,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 42641920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).