8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C20H24N2O — CID 171964404

IUPAC8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccncc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-15-9-10-21-13-19(15)20(23)11-17-7-8-18(12-20)22(17)14-16-5-3-2-4-6-16/h2-6,9-10,13,17-18,23H,7-8,11-12,14H2,1H3
InChIKeyYYFBTMIAEBQVAH-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.40
Rot. Bonds3

About 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964404) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964404
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccncc1C1(O)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-15-9-10-21-13-19(15)20(23)11-17-7-8-18(12-20)22(17)14-16-5-3-2-4-6-16/h2-6,9-10,13,17-18,23H,7-8,11-12,14H2,1H3
InChIKeyYYFBTMIAEBQVAH-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzyl-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171956091
8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
9-benzyl-3-(2,5-dimethylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171958704
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
8-benzyl-3-(2-ethenylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171958821
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959749

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171964404) is 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccncc1C1(O)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YYFBTMIAEBQVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-9-10-21-13-19(15)20(23)11-17-7-8-18(12-20)22(17)14-16-5-3-2-4-6-16/h2-6,9-10,13,17-18,23H,7-8,11-12,14H2,1H3.
What are the key properties of 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 308.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).