9-azabicyclo[3.3.1]nonane;4-chlorophenol

C14H20ClNO — CID 143434411

IUPAC9-azabicyclo[3.3.1]nonane;4-chlorophenol
SMILESC1CC2CCCC(C1)N2.Oc1ccc(Cl)cc1
InChIInChI=1S/C8H15N.C6H5ClO/c1-3-7-5-2-6-8(4-1)9-7;7-5-1-3-6(8)4-2-5/h7-9H,1-6H2;1-4,8H
InChIKeyFEPVIDCOAIRSNW-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.73
Rot. Bonds

About 9-azabicyclo[3.3.1]nonane;4-chlorophenol

9-azabicyclo[3.3.1]nonane;4-chlorophenol (PubChem CID 143434411) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonane;4-chlorophenol.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonane;4-chlorophenol
PubChem CID143434411
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name9-azabicyclo[3.3.1]nonane;4-chlorophenol
SMILESC1CC2CCCC(C1)N2.Oc1ccc(Cl)cc1
InChIInChI=1S/C8H15N.C6H5ClO/c1-3-7-5-2-6-8(4-1)9-7;7-5-1-3-6(8)4-2-5/h7-9H,1-6H2;1-4,8H
InChIKeyFEPVIDCOAIRSNW-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-azabicyclo[3.3.1]nonane;4-chlorophenol 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 9-azabicyclo[3.3.1]nonane;4-chlorophenol?
The IUPAC name of 9-azabicyclo[3.3.1]nonane;4-chlorophenol (CID 143434411) is 9-azabicyclo[3.3.1]nonane;4-chlorophenol.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonane;4-chlorophenol?
The canonical SMILES for 9-azabicyclo[3.3.1]nonane;4-chlorophenol is C1CC2CCCC(C1)N2.Oc1ccc(Cl)cc1.
What is the InChIKey of 9-azabicyclo[3.3.1]nonane;4-chlorophenol?
The InChIKey is FEPVIDCOAIRSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C6H5ClO/c1-3-7-5-2-6-8(4-1)9-7;7-5-1-3-6(8)4-2-5/h7-9H,1-6H2;1-4,8H.
What are the key properties of 9-azabicyclo[3.3.1]nonane;4-chlorophenol?
9-azabicyclo[3.3.1]nonane;4-chlorophenol has a molecular weight of 253.77 g/mol, XLogP of 3.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonane;4-chlorophenol is sourced from PubChem (CID 143434411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).