(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol

C20H22ClNO — CID 10969498

IUPAC(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1(c2ccc(Cl)cc2)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C20H22ClNO/c21-19-10-8-16(9-11-19)20(23)17-6-7-18(20)14-22(13-17)12-15-4-2-1-3-5-15/h1-5,8-11,17-18,23H,6-7,12-14H2/t17-,18+,20?
InChIKeyWTEIJIHIMKEQPY-UFRUDQCGSA-N
MW327.86 g/mol
LogP4.07
Rot. Bonds3

About (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol

(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 10969498) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID10969498
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1(c2ccc(Cl)cc2)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C20H22ClNO/c21-19-10-8-16(9-11-19)20(23)17-6-7-18(20)14-22(13-17)12-15-4-2-1-3-5-15/h1-5,8-11,17-18,23H,6-7,12-14H2/t17-,18+,20?
InChIKeyWTEIJIHIMKEQPY-UFRUDQCGSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
CID 47003608
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
CID 69431075
9-(1-benzylpyrrolidin-3-yl)fluoren-9-ol
CID 122392287
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol (CID 10969498) is (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol is OC1(c2ccc(Cl)cc2)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is WTEIJIHIMKEQPY-UFRUDQCGSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-19-10-8-16(9-11-19)20(23)17-6-7-18(20)14-22(13-17)12-15-4-2-1-3-5-15/h1-5,8-11,17-18,23H,6-7,12-14H2/t17-,18+,20?.
What are the key properties of (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol?
(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 327.86 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 10969498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).