3-piperidin-2-ylphenol;hydrochloride

C11H16ClNO — CID 115028551

IUPAC3-piperidin-2-ylphenol;hydrochloride
SMILESCl.Oc1cccc(C2CCCCN2)c1
InChIInChI=1S/C11H15NO.ClH/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;/h3-5,8,11-13H,1-2,6-7H2;1H
InChIKeyCQWQCQZQXDNUEM-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.63
Rot. Bonds1

About 3-piperidin-2-ylphenol;hydrochloride

3-piperidin-2-ylphenol;hydrochloride (PubChem CID 115028551) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-piperidin-2-ylphenol;hydrochloride.

Molecular Properties

Compound Name3-piperidin-2-ylphenol;hydrochloride
PubChem CID115028551
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-piperidin-2-ylphenol;hydrochloride
SMILESCl.Oc1cccc(C2CCCCN2)c1
InChIInChI=1S/C11H15NO.ClH/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;/h3-5,8,11-13H,1-2,6-7H2;1H
InChIKeyCQWQCQZQXDNUEM-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-piperidin-2-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 3-piperidin-2-ylphenol;hydrochloride?
The IUPAC name of 3-piperidin-2-ylphenol;hydrochloride (CID 115028551) is 3-piperidin-2-ylphenol;hydrochloride.
What is the SMILES notation for 3-piperidin-2-ylphenol;hydrochloride?
The canonical SMILES for 3-piperidin-2-ylphenol;hydrochloride is Cl.Oc1cccc(C2CCCCN2)c1.
What is the InChIKey of 3-piperidin-2-ylphenol;hydrochloride?
The InChIKey is CQWQCQZQXDNUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;/h3-5,8,11-13H,1-2,6-7H2;1H.
What are the key properties of 3-piperidin-2-ylphenol;hydrochloride?
3-piperidin-2-ylphenol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-ylphenol;hydrochloride is sourced from PubChem (CID 115028551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).