3,3-diethyl-1-(4-methylpentyl)piperazine

C14H30N2 — CID 64953195

IUPAC3,3-diethyl-1-(4-methylpentyl)piperazine
SMILESCCC1(CC)CN(CCCC(C)C)CCN1
InChIInChI=1S/C14H30N2/c1-5-14(6-2)12-16(11-9-15-14)10-7-8-13(3)4/h13,15H,5-12H2,1-4H3
InChIKeyWAFKBUPEUMJCDC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds6

About 3,3-diethyl-1-(4-methylpentyl)piperazine

3,3-diethyl-1-(4-methylpentyl)piperazine (PubChem CID 64953195) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(4-methylpentyl)piperazine
PubChem CID64953195
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3,3-diethyl-1-(4-methylpentyl)piperazine
SMILESCCC1(CC)CN(CCCC(C)C)CCN1
InChIInChI=1S/C14H30N2/c1-5-14(6-2)12-16(11-9-15-14)10-7-8-13(3)4/h13,15H,5-12H2,1-4H3
InChIKeyWAFKBUPEUMJCDC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-diethyl-1-(4-methylpentyl)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 3,3-diethyl-1-(4-methylpentyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(4-methylpentyl)piperazine (CID 64953195) is 3,3-diethyl-1-(4-methylpentyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(4-methylpentyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(4-methylpentyl)piperazine is CCC1(CC)CN(CCCC(C)C)CCN1.
What is the InChIKey of 3,3-diethyl-1-(4-methylpentyl)piperazine?
The InChIKey is WAFKBUPEUMJCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(6-2)12-16(11-9-15-14)10-7-8-13(3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(4-methylpentyl)piperazine?
3,3-diethyl-1-(4-methylpentyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-methylpentyl)piperazine is sourced from PubChem (CID 64953195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).