1-butyl-4-(3-methoxypropyl)piperazine

C12H26N2O — CID 54206092

IUPAC1-butyl-4-(3-methoxypropyl)piperazine
SMILESCCCCN1CCN(CCCOC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-6-13-8-10-14(11-9-13)7-5-12-15-2/h3-12H2,1-2H3
InChIKeyTZKKVBYAEHGNNJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds7

About 1-butyl-4-(3-methoxypropyl)piperazine

1-butyl-4-(3-methoxypropyl)piperazine (PubChem CID 54206092) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-butyl-4-(3-methoxypropyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(3-methoxypropyl)piperazine
PubChem CID54206092
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-butyl-4-(3-methoxypropyl)piperazine
SMILESCCCCN1CCN(CCCOC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-6-13-8-10-14(11-9-13)7-5-12-15-2/h3-12H2,1-2H3
InChIKeyTZKKVBYAEHGNNJ-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-4-(3-methoxypropyl)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-butyl-4-(3-methoxypropyl)piperazine?
The IUPAC name of 1-butyl-4-(3-methoxypropyl)piperazine (CID 54206092) is 1-butyl-4-(3-methoxypropyl)piperazine.
What is the SMILES notation for 1-butyl-4-(3-methoxypropyl)piperazine?
The canonical SMILES for 1-butyl-4-(3-methoxypropyl)piperazine is CCCCN1CCN(CCCOC)CC1.
What is the InChIKey of 1-butyl-4-(3-methoxypropyl)piperazine?
The InChIKey is TZKKVBYAEHGNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-6-13-8-10-14(11-9-13)7-5-12-15-2/h3-12H2,1-2H3.
What are the key properties of 1-butyl-4-(3-methoxypropyl)piperazine?
1-butyl-4-(3-methoxypropyl)piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-methoxypropyl)piperazine is sourced from PubChem (CID 54206092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).