4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol

C14H19NO — CID 3262923

IUPAC4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol
SMILESOc1ccc(CC2CC3CCN2CC3)cc1
InChIInChI=1S/C14H19NO/c16-14-3-1-11(2-4-14)9-13-10-12-5-7-15(13)8-6-12/h1-4,12-13,16H,5-10H2
InChIKeyNFZJOFGACUHHLP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.42
Rot. Bonds2

About 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol

4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol (PubChem CID 3262923) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol
PubChem CID3262923
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol
SMILESOc1ccc(CC2CC3CCN2CC3)cc1
InChIInChI=1S/C14H19NO/c16-14-3-1-11(2-4-14)9-13-10-12-5-7-15(13)8-6-12/h1-4,12-13,16H,5-10H2
InChIKeyNFZJOFGACUHHLP-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol?
The IUPAC name of 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol (CID 3262923) is 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol.
What is the SMILES notation for 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol?
The canonical SMILES for 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol is Oc1ccc(CC2CC3CCN2CC3)cc1.
What is the InChIKey of 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol?
The InChIKey is NFZJOFGACUHHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-3-1-11(2-4-14)9-13-10-12-5-7-15(13)8-6-12/h1-4,12-13,16H,5-10H2.
What are the key properties of 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol?
4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol has a molecular weight of 217.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol is sourced from PubChem (CID 3262923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).