5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine

C16H22Cl2N2 — CID 64933328

IUPAC5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H22Cl2N2/c1-3-14-9-19-16(2,11-4-5-11)10-20(14)15-7-12(17)6-13(18)8-15/h6-8,11,14,19H,3-5,9-10H2,1-2H3
InChIKeyXTQVRNKGPWDLLD-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.35
Rot. Bonds3

About 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine

5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine (PubChem CID 64933328) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
PubChem CID64933328
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H22Cl2N2/c1-3-14-9-19-16(2,11-4-5-11)10-20(14)15-7-12(17)6-13(18)8-15/h6-8,11,14,19H,3-5,9-10H2,1-2H3
InChIKeyXTQVRNKGPWDLLD-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine 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

5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64935659
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64946263
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propylphenyl)piperazine
CID 64945723
5-cyclopropyl-1-(2,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 64934485
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64934524
5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
CID 64932001
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine (CID 64933328) is 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The InChIKey is XTQVRNKGPWDLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-3-14-9-19-16(2,11-4-5-11)10-20(14)15-7-12(17)6-13(18)8-15/h6-8,11,14,19H,3-5,9-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine?
5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine has a molecular weight of 313.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64933328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).