1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol

C14H20Cl2N2O — CID 71877571

IUPAC1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol
SMILESCC1CN(C)CCN1CC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10-8-17(2)5-6-18(10)9-14(19)12-7-11(15)3-4-13(12)16/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3
InChIKeyJVPCVSWQSZPWIR-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol

1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol (PubChem CID 71877571) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol
PubChem CID71877571
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol
SMILESCC1CN(C)CCN1CC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10-8-17(2)5-6-18(10)9-14(19)12-7-11(15)3-4-13(12)16/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3
InChIKeyJVPCVSWQSZPWIR-UHFFFAOYSA-N
XLogP2.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol 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 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol (CID 71877571) is 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol is CC1CN(C)CCN1CC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol?
The InChIKey is JVPCVSWQSZPWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-10-8-17(2)5-6-18(10)9-14(19)12-7-11(15)3-4-13(12)16/h3-4,7,10,14,19H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol?
1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol has a molecular weight of 303.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol is sourced from PubChem (CID 71877571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).