(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C13H18N2O — CID 54305859

IUPAC(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2
InChIInChI=1S/C13H18N2O/c1-15-10-5-6-11(15)9-13(16,8-10)12-4-2-3-7-14-12/h2-4,7,10-11,16H,5-6,8-9H2,1H3/t10-,11-/m1/s1
InChIKeyHHMKHYQIOYQJKA-GHMZBOCLSA-N
MW218.30 g/mol
LogP1.53
Rot. Bonds1

About (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol

(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 54305859) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID54305859
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2
InChIInChI=1S/C13H18N2O/c1-15-10-5-6-11(15)9-13(16,8-10)12-4-2-3-7-14-12/h2-4,7,10-11,16H,5-6,8-9H2,1H3/t10-,11-/m1/s1
InChIKeyHHMKHYQIOYQJKA-GHMZBOCLSA-N
XLogP1.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957326
3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171964645
2-[(1S,5S)-3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylacetamide
CID 98066429
3-(2-benzofuran-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 57254654
8-methyl-3-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960168
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990
3-(2-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957630
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840
(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
8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171959372
8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 22725100

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 54305859) is (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2.
What is the InChIKey of (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HHMKHYQIOYQJKA-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-10-5-6-11(15)9-13(16,8-10)12-4-2-3-7-14-12/h2-4,7,10-11,16H,5-6,8-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 218.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-methyl-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 54305859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).