1-benzyl-2,5-diethyl-2-methylpiperazine

C16H26N2 — CID 64841591

IUPAC1-benzyl-2,5-diethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccccc2)C(C)(CC)CN1
InChIInChI=1S/C16H26N2/c1-4-15-12-18(16(3,5-2)13-17-15)11-14-9-7-6-8-10-14/h6-10,15,17H,4-5,11-13H2,1-3H3
InChIKeyIPLVIWYSBXDUTK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds4

About 1-benzyl-2,5-diethyl-2-methylpiperazine

1-benzyl-2,5-diethyl-2-methylpiperazine (PubChem CID 64841591) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-benzyl-2,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-benzyl-2,5-diethyl-2-methylpiperazine
PubChem CID64841591
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-benzyl-2,5-diethyl-2-methylpiperazine
SMILESCCC1CN(Cc2ccccc2)C(C)(CC)CN1
InChIInChI=1S/C16H26N2/c1-4-15-12-18(16(3,5-2)13-17-15)11-14-9-7-6-8-10-14/h6-10,15,17H,4-5,11-13H2,1-3H3
InChIKeyIPLVIWYSBXDUTK-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2,5-diethyl-2-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-benzyl-2,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-benzyl-2,5-diethyl-2-methylpiperazine (CID 64841591) is 1-benzyl-2,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-benzyl-2,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-benzyl-2,5-diethyl-2-methylpiperazine is CCC1CN(Cc2ccccc2)C(C)(CC)CN1.
What is the InChIKey of 1-benzyl-2,5-diethyl-2-methylpiperazine?
The InChIKey is IPLVIWYSBXDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15-12-18(16(3,5-2)13-17-15)11-14-9-7-6-8-10-14/h6-10,15,17H,4-5,11-13H2,1-3H3.
What are the key properties of 1-benzyl-2,5-diethyl-2-methylpiperazine?
1-benzyl-2,5-diethyl-2-methylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64841591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).