1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine

C13H28N2 — CID 59222440

IUPAC1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)10-13(5)15-8-6-14(7-9-15)12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyKPSULCIQGORLPD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds4

About 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine

1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine (PubChem CID 59222440) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine
PubChem CID59222440
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)10-13(5)15-8-6-14(7-9-15)12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyKPSULCIQGORLPD-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine 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-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine (CID 59222440) is 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine is CC(C)CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is KPSULCIQGORLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)10-13(5)15-8-6-14(7-9-15)12(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine?
1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 59222440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).