1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine

C13H19ClN2O — CID 130431279

IUPAC1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine
SMILESCCc1cc(Cl)c(OC)c(N2CCNCC2)c1
InChIInChI=1S/C13H19ClN2O/c1-3-10-8-11(14)13(17-2)12(9-10)16-6-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3
InChIKeyGPALOBCMKKYZEA-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.32
Rot. Bonds3

About 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine

1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine (PubChem CID 130431279) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine
PubChem CID130431279
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine
SMILESCCc1cc(Cl)c(OC)c(N2CCNCC2)c1
InChIInChI=1S/C13H19ClN2O/c1-3-10-8-11(14)13(17-2)12(9-10)16-6-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3
InChIKeyGPALOBCMKKYZEA-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine 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-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
The IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine (CID 130431279) is 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine is CCc1cc(Cl)c(OC)c(N2CCNCC2)c1.
What is the InChIKey of 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
The InChIKey is GPALOBCMKKYZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-10-8-11(14)13(17-2)12(9-10)16-6-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine?
1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine has a molecular weight of 254.76 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-2-methoxyphenyl)piperazine is sourced from PubChem (CID 130431279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).