1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine

C16H23ClN2 — CID 64926315

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
SMILESCC(c1cccc(Cl)c1)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H23ClN2/c1-12(13-4-3-5-15(17)10-13)19-9-8-18-16(2,11-19)14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3
InChIKeyKMJSYMSVKAIBFR-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.47
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine

1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine (PubChem CID 64926315) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
PubChem CID64926315
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
SMILESCC(c1cccc(Cl)c1)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H23ClN2/c1-12(13-4-3-5-15(17)10-13)19-9-8-18-16(2,11-19)14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3
InChIKeyKMJSYMSVKAIBFR-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine 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-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine (CID 64926315) is 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine is CC(c1cccc(Cl)c1)N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
The InChIKey is KMJSYMSVKAIBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12(13-4-3-5-15(17)10-13)19-9-8-18-16(2,11-19)14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine has a molecular weight of 278.83 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine is sourced from PubChem (CID 64926315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).