3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol

C19H21NO — CID 47003608

IUPAC3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
SMILESOC1(c2ccccc2)C2CC1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H21NO/c21-19(16-9-5-2-6-10-16)17-11-18(19)14-20(13-17)12-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2
InChIKeyDATNYIBLRZAURZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.03
Rot. Bonds3

About 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol

3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol (PubChem CID 47003608) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol.

Molecular Properties

Compound Name3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
PubChem CID47003608
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
SMILESOC1(c2ccccc2)C2CC1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H21NO/c21-19(16-9-5-2-6-10-16)17-11-18(19)14-20(13-17)12-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2
InChIKeyDATNYIBLRZAURZ-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol
CID 10969498
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
3',7'-dibenzylspiro[1,3-benzodioxole-2,9'-3,7-diazabicyclo[3.3.1]nonane]
CID 140589678
(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol?
The IUPAC name of 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol (CID 47003608) is 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol.
What is the SMILES notation for 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol?
The canonical SMILES for 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol is OC1(c2ccccc2)C2CC1CN(Cc1ccccc1)C2.
What is the InChIKey of 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol?
The InChIKey is DATNYIBLRZAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(16-9-5-2-6-10-16)17-11-18(19)14-20(13-17)12-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2.
What are the key properties of 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol?
3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol has a molecular weight of 279.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol is sourced from PubChem (CID 47003608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).