8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C19H22N2O — CID 171957326

IUPAC8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1ccc(-c3ccccn3)cc1)C2
InChIInChI=1S/C19H22N2O/c1-21-16-9-10-17(21)13-19(22,12-16)15-7-5-14(6-8-15)18-4-2-3-11-20-18/h2-8,11,16-17,22H,9-10,12-13H2,1H3
InChIKeyCGHPTZVZLIDDDN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.19
Rot. Bonds2

About 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171957326) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171957326
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1ccc(-c3ccccn3)cc1)C2
InChIInChI=1S/C19H22N2O/c1-21-16-9-10-17(21)13-19(22,12-16)15-7-5-14(6-8-15)18-4-2-3-11-20-18/h2-8,11,16-17,22H,9-10,12-13H2,1H3
InChIKeyCGHPTZVZLIDDDN-UHFFFAOYSA-N
XLogP3.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 54305859
3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957331
8-methyl-3-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960168
(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 23607529
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840
8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954809
3-[4-(1,3-dioxolan-2-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963062
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990
9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973283
9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962081
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171957326) is 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(c1ccc(-c3ccccn3)cc1)C2.
What is the InChIKey of 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CGHPTZVZLIDDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21-16-9-10-17(21)13-19(22,12-16)15-7-5-14(6-8-15)18-4-2-3-11-20-18/h2-8,11,16-17,22H,9-10,12-13H2,1H3.
What are the key properties of 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 294.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).