4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol

C12H15NO — CID 115063849

IUPAC4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol
SMILESOc1ccc(C23CCC(CN2)C3)cc1
InChIInChI=1S/C12H15NO/c14-11-3-1-10(2-4-11)12-6-5-9(7-12)8-13-12/h1-4,9,13-14H,5-8H2
InChIKeyBDXWNHHXRMPIJJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.99
Rot. Bonds1

About 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol

4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol (PubChem CID 115063849) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol
PubChem CID115063849
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol
SMILESOc1ccc(C23CCC(CN2)C3)cc1
InChIInChI=1S/C12H15NO/c14-11-3-1-10(2-4-11)12-6-5-9(7-12)8-13-12/h1-4,9,13-14H,5-8H2
InChIKeyBDXWNHHXRMPIJJ-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063816
1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
CID 84776453
5-(4-hydroxyphenyl)-5-methylpyrrolidin-3-ol
CID 115019379
4-(2-propan-2-ylpyrrolidin-2-yl)phenol
CID 115058626
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25183353
4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
CID 84771191
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
4-[3-ethyl-5-(4-hydroxyphenyl)-1-adamantyl]phenol
CID 118038366
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol
CID 162029011
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate
CID 159161137
1-(4-methoxyphenyl)-5-azabicyclo[2.1.1]hexane
CID 115059491

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol (CID 115063849) is 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol is Oc1ccc(C23CCC(CN2)C3)cc1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol?
The InChIKey is BDXWNHHXRMPIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-11-3-1-10(2-4-11)12-6-5-9(7-12)8-13-12/h1-4,9,13-14H,5-8H2.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol?
4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol has a molecular weight of 189.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-1-yl)phenol is sourced from PubChem (CID 115063849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).