1-(4-piperidin-1-ylbutyl)piperazine

C13H27N3 — CID 18430949

IUPAC1-(4-piperidin-1-ylbutyl)piperazine
SMILESC1CCN(CCCCN2CCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-2-8-15(9-3-1)10-4-5-11-16-12-6-14-7-13-16/h14H,1-13H2
InChIKeyOVDNZXNCMAOVGF-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.16
Rot. Bonds5

About 1-(4-piperidin-1-ylbutyl)piperazine

1-(4-piperidin-1-ylbutyl)piperazine (PubChem CID 18430949) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-(4-piperidin-1-ylbutyl)piperazine
PubChem CID18430949
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(4-piperidin-1-ylbutyl)piperazine
SMILESC1CCN(CCCCN2CCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-2-8-15(9-3-1)10-4-5-11-16-12-6-14-7-13-16/h14H,1-13H2
InChIKeyOVDNZXNCMAOVGF-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-piperidin-1-ylbutyl)piperazine 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-piperidin-1-ylbutyl)piperazine?
The IUPAC name of 1-(4-piperidin-1-ylbutyl)piperazine (CID 18430949) is 1-(4-piperidin-1-ylbutyl)piperazine.
What is the SMILES notation for 1-(4-piperidin-1-ylbutyl)piperazine?
The canonical SMILES for 1-(4-piperidin-1-ylbutyl)piperazine is C1CCN(CCCCN2CCNCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylbutyl)piperazine?
The InChIKey is OVDNZXNCMAOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-8-15(9-3-1)10-4-5-11-16-12-6-14-7-13-16/h14H,1-13H2.
What are the key properties of 1-(4-piperidin-1-ylbutyl)piperazine?
1-(4-piperidin-1-ylbutyl)piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylbutyl)piperazine is sourced from PubChem (CID 18430949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).