4-piperidin-3-ylphenol;hydrochloride

C11H16ClNO — CID 138040420

IUPAC4-piperidin-3-ylphenol;hydrochloride
SMILESCl.Oc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C11H15NO.ClH/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10;/h3-6,10,12-13H,1-2,7-8H2;1H
InChIKeyWZRJBQSXAKPAKW-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.28
Rot. Bonds1

About 4-piperidin-3-ylphenol;hydrochloride

4-piperidin-3-ylphenol;hydrochloride (PubChem CID 138040420) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-piperidin-3-ylphenol;hydrochloride.

Molecular Properties

Compound Name4-piperidin-3-ylphenol;hydrochloride
PubChem CID138040420
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-piperidin-3-ylphenol;hydrochloride
SMILESCl.Oc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C11H15NO.ClH/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10;/h3-6,10,12-13H,1-2,7-8H2;1H
InChIKeyWZRJBQSXAKPAKW-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-piperidin-3-ylphenol;hydrochloride 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-piperidin-3-ylphenol;hydrochloride?
The IUPAC name of 4-piperidin-3-ylphenol;hydrochloride (CID 138040420) is 4-piperidin-3-ylphenol;hydrochloride.
What is the SMILES notation for 4-piperidin-3-ylphenol;hydrochloride?
The canonical SMILES for 4-piperidin-3-ylphenol;hydrochloride is Cl.Oc1ccc(C2CCCNC2)cc1.
What is the InChIKey of 4-piperidin-3-ylphenol;hydrochloride?
The InChIKey is WZRJBQSXAKPAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c13-11-5-3-9(4-6-11)10-2-1-7-12-8-10;/h3-6,10,12-13H,1-2,7-8H2;1H.
What are the key properties of 4-piperidin-3-ylphenol;hydrochloride?
4-piperidin-3-ylphenol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-ylphenol;hydrochloride is sourced from PubChem (CID 138040420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).