3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine

C12H20N4 — CID 117246513

IUPAC3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine
SMILESNCC(CN1CCNCC1)c1ccncc1
InChIInChI=1S/C12H20N4/c13-9-12(11-1-3-14-4-2-11)10-16-7-5-15-6-8-16/h1-4,12,15H,5-10,13H2
InChIKeyQDIGALWSAVDCGM-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.03
Rot. Bonds4

About 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine

3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine (PubChem CID 117246513) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine
PubChem CID117246513
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine
SMILESNCC(CN1CCNCC1)c1ccncc1
InChIInChI=1S/C12H20N4/c13-9-12(11-1-3-14-4-2-11)10-16-7-5-15-6-8-16/h1-4,12,15H,5-10,13H2
InChIKeyQDIGALWSAVDCGM-UHFFFAOYSA-N
XLogP0.03
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine 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-yl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine (CID 117246513) is 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine is NCC(CN1CCNCC1)c1ccncc1.
What is the InChIKey of 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is QDIGALWSAVDCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-9-12(11-1-3-14-4-2-11)10-16-7-5-15-6-8-16/h1-4,12,15H,5-10,13H2.
What are the key properties of 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine?
3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 117246513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).