3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine

C13H28N4 — CID 70837487

IUPAC3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine
SMILESCN1CCC(N2CCN(CCCN)CC2)CC1
InChIInChI=1S/C13H28N4/c1-15-7-3-13(4-8-15)17-11-9-16(10-12-17)6-2-5-14/h13H,2-12,14H2,1H3
InChIKeyPJWSALLNBUTHOT-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.05
Rot. Bonds4

About 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine

3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine (PubChem CID 70837487) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine
PubChem CID70837487
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine
SMILESCN1CCC(N2CCN(CCCN)CC2)CC1
InChIInChI=1S/C13H28N4/c1-15-7-3-13(4-8-15)17-11-9-16(10-12-17)6-2-5-14/h13H,2-12,14H2,1H3
InChIKeyPJWSALLNBUTHOT-UHFFFAOYSA-N
XLogP0.05
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-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-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine (CID 70837487) is 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine is CN1CCC(N2CCN(CCCN)CC2)CC1.
What is the InChIKey of 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is PJWSALLNBUTHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-15-7-3-13(4-8-15)17-11-9-16(10-12-17)6-2-5-14/h13H,2-12,14H2,1H3.
What are the key properties of 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine?
3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 70837487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).