2-chloro-4-(1-methylpiperazin-2-yl)phenol

C11H15ClN2O — CID 82679784

IUPAC2-chloro-4-(1-methylpiperazin-2-yl)phenol
SMILESCN1CCNCC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-14-5-4-13-7-10(14)8-2-3-11(15)9(12)6-8/h2-3,6,10,13,15H,4-5,7H2,1H3
InChIKeyLCULCGMSMGKKJU-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.62
Rot. Bonds1

About 2-chloro-4-(1-methylpiperazin-2-yl)phenol

2-chloro-4-(1-methylpiperazin-2-yl)phenol (PubChem CID 82679784) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpiperazin-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(1-methylpiperazin-2-yl)phenol
PubChem CID82679784
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-(1-methylpiperazin-2-yl)phenol
SMILESCN1CCNCC1c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-14-5-4-13-7-10(14)8-2-3-11(15)9(12)6-8/h2-3,6,10,13,15H,4-5,7H2,1H3
InChIKeyLCULCGMSMGKKJU-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(1-methylpiperazin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
The IUPAC name of 2-chloro-4-(1-methylpiperazin-2-yl)phenol (CID 82679784) is 2-chloro-4-(1-methylpiperazin-2-yl)phenol.
What is the SMILES notation for 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
The canonical SMILES for 2-chloro-4-(1-methylpiperazin-2-yl)phenol is CN1CCNCC1c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
The InChIKey is LCULCGMSMGKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14-5-4-13-7-10(14)8-2-3-11(15)9(12)6-8/h2-3,6,10,13,15H,4-5,7H2,1H3.
What are the key properties of 2-chloro-4-(1-methylpiperazin-2-yl)phenol?
2-chloro-4-(1-methylpiperazin-2-yl)phenol has a molecular weight of 226.71 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpiperazin-2-yl)phenol is sourced from PubChem (CID 82679784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).