8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C21H26N2O — CID 171957894

IUPAC8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(O)CC3CCC(C2)N3Cc2ccccc2)c(C)n1
InChIInChI=1S/C21H26N2O/c1-15-8-11-20(16(2)22-15)21(24)12-18-9-10-19(13-21)23(18)14-17-6-4-3-5-7-17/h3-8,11,18-19,24H,9-10,12-14H2,1-2H3
InChIKeyBDLOENWREHUGIT-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.71
Rot. Bonds3

About 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171957894) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171957894
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(O)CC3CCC(C2)N3Cc2ccccc2)c(C)n1
InChIInChI=1S/C21H26N2O/c1-15-8-11-20(16(2)22-15)21(24)12-18-9-10-19(13-21)23(18)14-17-6-4-3-5-7-17/h3-8,11,18-19,24H,9-10,12-14H2,1-2H3
InChIKeyBDLOENWREHUGIT-UHFFFAOYSA-N
XLogP3.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957910
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964404
9-benzyl-3-(3-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957974
8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171956091
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171957894) is 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccc(C2(O)CC3CCC(C2)N3Cc2ccccc2)c(C)n1.
What is the InChIKey of 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BDLOENWREHUGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-8-11-20(16(2)22-15)21(24)12-18-9-10-19(13-21)23(18)14-17-6-4-3-5-7-17/h3-8,11,18-19,24H,9-10,12-14H2,1-2H3.
What are the key properties of 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 322.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).