3-piperazin-1-ylprop-1-ene-1,1-diamine

C7H16N4 — CID 66900156

IUPAC3-piperazin-1-ylprop-1-ene-1,1-diamine
SMILESNC(N)=CCN1CCNCC1
InChIInChI=1S/C7H16N4/c8-7(9)1-4-11-5-2-10-3-6-11/h1,10H,2-6,8-9H2
InChIKeyKPEKOFWPMNGHFG-UHFFFAOYSA-N
MW156.23 g/mol
LogP-1.35
Rot. Bonds2

About 3-piperazin-1-ylprop-1-ene-1,1-diamine

3-piperazin-1-ylprop-1-ene-1,1-diamine (PubChem CID 66900156) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-piperazin-1-ylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name3-piperazin-1-ylprop-1-ene-1,1-diamine
PubChem CID66900156
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name3-piperazin-1-ylprop-1-ene-1,1-diamine
SMILESNC(N)=CCN1CCNCC1
InChIInChI=1S/C7H16N4/c8-7(9)1-4-11-5-2-10-3-6-11/h1,10H,2-6,8-9H2
InChIKeyKPEKOFWPMNGHFG-UHFFFAOYSA-N
XLogP-1.35
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-piperazin-1-ylprop-1-ene-1,1-diamine 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-piperazin-1-ylprop-1-ene-1,1-diamine?
The IUPAC name of 3-piperazin-1-ylprop-1-ene-1,1-diamine (CID 66900156) is 3-piperazin-1-ylprop-1-ene-1,1-diamine.
What is the SMILES notation for 3-piperazin-1-ylprop-1-ene-1,1-diamine?
The canonical SMILES for 3-piperazin-1-ylprop-1-ene-1,1-diamine is NC(N)=CCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylprop-1-ene-1,1-diamine?
The InChIKey is KPEKOFWPMNGHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c8-7(9)1-4-11-5-2-10-3-6-11/h1,10H,2-6,8-9H2.
What are the key properties of 3-piperazin-1-ylprop-1-ene-1,1-diamine?
3-piperazin-1-ylprop-1-ene-1,1-diamine has a molecular weight of 156.23 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylprop-1-ene-1,1-diamine is sourced from PubChem (CID 66900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).