3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine

C16H24N2 — CID 64923831

IUPAC3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
SMILESCc1ccc(N2CCNC(C)(C3CC3)C2)cc1C
InChIInChI=1S/C16H24N2/c1-12-4-7-15(10-13(12)2)18-9-8-17-16(3,11-18)14-5-6-14/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3
InChIKeyWOSCDCZZEIQKNK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.88
Rot. Bonds2

About 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine

3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine (PubChem CID 64923831) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
PubChem CID64923831
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
SMILESCc1ccc(N2CCNC(C)(C3CC3)C2)cc1C
InChIInChI=1S/C16H24N2/c1-12-4-7-15(10-13(12)2)18-9-8-17-16(3,11-18)14-5-6-14/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3
InChIKeyWOSCDCZZEIQKNK-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-1-(3,4-dimethylphenyl)-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 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine (CID 64923831) is 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine is Cc1ccc(N2CCNC(C)(C3CC3)C2)cc1C.
What is the InChIKey of 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine?
The InChIKey is WOSCDCZZEIQKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-4-7-15(10-13(12)2)18-9-8-17-16(3,11-18)14-5-6-14/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine?
3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine is sourced from PubChem (CID 64923831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).