2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol

C12H16N2O — CID 52933572

IUPAC2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol
SMILESOC(c1ccccn1)C12CC(CCN1)C2
InChIInChI=1S/C12H16N2O/c15-11(10-3-1-2-5-13-10)12-7-9(8-12)4-6-14-12/h1-3,5,9,11,14-15H,4,6-8H2
InChIKeyWEIIUTXBOAUUSW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.26
Rot. Bonds2

About 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol

2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol (PubChem CID 52933572) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol.

Molecular Properties

Compound Name2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol
PubChem CID52933572
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol
SMILESOC(c1ccccn1)C12CC(CCN1)C2
InChIInChI=1S/C12H16N2O/c15-11(10-3-1-2-5-13-10)12-7-9(8-12)4-6-14-12/h1-3,5,9,11,14-15H,4,6-8H2
InChIKeyWEIIUTXBOAUUSW-UHFFFAOYSA-N
XLogP1.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2,2-trichloro-1-pyridin-2-ylethanol
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2-chloro-1-pyridin-2-ylethanol
CID 22145518
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
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(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
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(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
2-[cyclopentyl(iodo)methyl]pyridine
CID 89130084
2-(2,2-dimethylpiperidin-4-yl)pyridine
CID 117258212
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol?
The IUPAC name of 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol (CID 52933572) is 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol.
What is the SMILES notation for 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol?
The canonical SMILES for 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol is OC(c1ccccn1)C12CC(CCN1)C2.
What is the InChIKey of 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol?
The InChIKey is WEIIUTXBOAUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-11(10-3-1-2-5-13-10)12-7-9(8-12)4-6-14-12/h1-3,5,9,11,14-15H,4,6-8H2.
What are the key properties of 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol?
2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol has a molecular weight of 204.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.1.1]heptan-1-yl(pyridin-2-yl)methanol is sourced from PubChem (CID 52933572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).