3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride

C17H20Cl2N2O — CID 120780112

IUPAC3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
SMILESCl.Oc1cccc(CN2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O.ClH/c18-15-5-2-4-14(10-15)17-11-19-7-8-20(17)12-13-3-1-6-16(21)9-13;/h1-6,9-10,17,19,21H,7-8,11-12H2;1H
InChIKeyXDKDIJUNACAQIQ-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.61
Rot. Bonds3

About 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride

3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride (PubChem CID 120780112) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
PubChem CID120780112
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
SMILESCl.Oc1cccc(CN2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O.ClH/c18-15-5-2-4-14(10-15)17-11-19-7-8-20(17)12-13-3-1-6-16(21)9-13;/h1-6,9-10,17,19,21H,7-8,11-12H2;1H
InChIKeyXDKDIJUNACAQIQ-UHFFFAOYSA-N
XLogP3.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride 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

3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120771182
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride?
The IUPAC name of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride (CID 120780112) is 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride?
The canonical SMILES for 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride is Cl.Oc1cccc(CN2CCNCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride?
The InChIKey is XDKDIJUNACAQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O.ClH/c18-15-5-2-4-14(10-15)17-11-19-7-8-20(17)12-13-3-1-6-16(21)9-13;/h1-6,9-10,17,19,21H,7-8,11-12H2;1H.
What are the key properties of 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride?
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride has a molecular weight of 339.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride is sourced from PubChem (CID 120780112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).