1-pentan-2-ylpiperazine

C9H20N2 — CID 2737113

IUPAC1-pentan-2-ylpiperazine
SMILESCCCC(C)N1CCNCC1
InChIInChI=1S/C9H20N2/c1-3-4-9(2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyQTPGFCVQPIPHFA-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds3

About 1-pentan-2-ylpiperazine

1-pentan-2-ylpiperazine (PubChem CID 2737113) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-pentan-2-ylpiperazine.

Molecular Properties

Compound Name1-pentan-2-ylpiperazine
PubChem CID2737113
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-pentan-2-ylpiperazine
SMILESCCCC(C)N1CCNCC1
InChIInChI=1S/C9H20N2/c1-3-4-9(2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyQTPGFCVQPIPHFA-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-pentan-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-pentan-2-ylpiperazine?
The IUPAC name of 1-pentan-2-ylpiperazine (CID 2737113) is 1-pentan-2-ylpiperazine.
What is the SMILES notation for 1-pentan-2-ylpiperazine?
The canonical SMILES for 1-pentan-2-ylpiperazine is CCCC(C)N1CCNCC1.
What is the InChIKey of 1-pentan-2-ylpiperazine?
The InChIKey is QTPGFCVQPIPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-4-9(2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-pentan-2-ylpiperazine?
1-pentan-2-ylpiperazine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylpiperazine is sourced from PubChem (CID 2737113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).