3-benzyl-1-(2-methylcyclopropyl)piperazine

C15H22N2 — CID 64952571

IUPAC3-benzyl-1-(2-methylcyclopropyl)piperazine
SMILESCC1CC1N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-12-9-15(12)17-8-7-16-14(11-17)10-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyZOSQEGRGKBJXGK-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.91
Rot. Bonds3

About 3-benzyl-1-(2-methylcyclopropyl)piperazine

3-benzyl-1-(2-methylcyclopropyl)piperazine (PubChem CID 64952571) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-benzyl-1-(2-methylcyclopropyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(2-methylcyclopropyl)piperazine
PubChem CID64952571
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-benzyl-1-(2-methylcyclopropyl)piperazine
SMILESCC1CC1N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-12-9-15(12)17-8-7-16-14(11-17)10-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyZOSQEGRGKBJXGK-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-1-(2-methylcyclopropyl)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 3-benzyl-1-(2-methylcyclopropyl)piperazine?
The IUPAC name of 3-benzyl-1-(2-methylcyclopropyl)piperazine (CID 64952571) is 3-benzyl-1-(2-methylcyclopropyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(2-methylcyclopropyl)piperazine?
The canonical SMILES for 3-benzyl-1-(2-methylcyclopropyl)piperazine is CC1CC1N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-(2-methylcyclopropyl)piperazine?
The InChIKey is ZOSQEGRGKBJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-9-15(12)17-8-7-16-14(11-17)10-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3.
What are the key properties of 3-benzyl-1-(2-methylcyclopropyl)piperazine?
3-benzyl-1-(2-methylcyclopropyl)piperazine has a molecular weight of 230.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methylcyclopropyl)piperazine is sourced from PubChem (CID 64952571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).