2-methyl-1,4-bis(3-methylbutyl)piperazine

C15H32N2 — CID 78897569

IUPAC2-methyl-1,4-bis(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(CCC(C)C)C(C)C1
InChIInChI=1S/C15H32N2/c1-13(2)6-8-16-10-11-17(15(5)12-16)9-7-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyPBANQJGCKIXNEI-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.08
Rot. Bonds6

About 2-methyl-1,4-bis(3-methylbutyl)piperazine

2-methyl-1,4-bis(3-methylbutyl)piperazine (PubChem CID 78897569) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 2-methyl-1,4-bis(3-methylbutyl)piperazine.

Molecular Properties

Compound Name2-methyl-1,4-bis(3-methylbutyl)piperazine
PubChem CID78897569
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name2-methyl-1,4-bis(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(CCC(C)C)C(C)C1
InChIInChI=1S/C15H32N2/c1-13(2)6-8-16-10-11-17(15(5)12-16)9-7-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyPBANQJGCKIXNEI-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1,4-bis(3-methylbutyl)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 2-methyl-1,4-bis(3-methylbutyl)piperazine?
The IUPAC name of 2-methyl-1,4-bis(3-methylbutyl)piperazine (CID 78897569) is 2-methyl-1,4-bis(3-methylbutyl)piperazine.
What is the SMILES notation for 2-methyl-1,4-bis(3-methylbutyl)piperazine?
The canonical SMILES for 2-methyl-1,4-bis(3-methylbutyl)piperazine is CC(C)CCN1CCN(CCC(C)C)C(C)C1.
What is the InChIKey of 2-methyl-1,4-bis(3-methylbutyl)piperazine?
The InChIKey is PBANQJGCKIXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)6-8-16-10-11-17(15(5)12-16)9-7-14(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of 2-methyl-1,4-bis(3-methylbutyl)piperazine?
2-methyl-1,4-bis(3-methylbutyl)piperazine has a molecular weight of 240.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-bis(3-methylbutyl)piperazine is sourced from PubChem (CID 78897569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).