2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol

C13H18N2O — CID 102134758

IUPAC2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol
SMILESOC(c1ccccn1)C12CCC(CC1)CN2
InChIInChI=1S/C13H18N2O/c16-12(11-3-1-2-8-14-11)13-6-4-10(5-7-13)9-15-13/h1-3,8,10,12,15-16H,4-7,9H2
InChIKeyRSPPUBDNDAZCRR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.65
Rot. Bonds2

About 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol

2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol (PubChem CID 102134758) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol.

Molecular Properties

Compound Name2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol
PubChem CID102134758
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol
SMILESOC(c1ccccn1)C12CCC(CC1)CN2
InChIInChI=1S/C13H18N2O/c16-12(11-3-1-2-8-14-11)13-6-4-10(5-7-13)9-15-13/h1-3,8,10,12,15-16H,4-7,9H2
InChIKeyRSPPUBDNDAZCRR-UHFFFAOYSA-N
XLogP1.65
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol?
The IUPAC name of 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol (CID 102134758) is 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol.
What is the SMILES notation for 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol?
The canonical SMILES for 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol is OC(c1ccccn1)C12CCC(CC1)CN2.
What is the InChIKey of 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol?
The InChIKey is RSPPUBDNDAZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-12(11-3-1-2-8-14-11)13-6-4-10(5-7-13)9-15-13/h1-3,8,10,12,15-16H,4-7,9H2.
What are the key properties of 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol?
2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.2]octan-1-yl(pyridin-2-yl)methanol is sourced from PubChem (CID 102134758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).