1-methyl-4-(4-phenylbutyl)piperazine

C15H24N2 — CID 12730763

IUPAC1-methyl-4-(4-phenylbutyl)piperazine
SMILESCN1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyJQPPCEQMCVBSBU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.26
Rot. Bonds5

About 1-methyl-4-(4-phenylbutyl)piperazine

1-methyl-4-(4-phenylbutyl)piperazine (PubChem CID 12730763) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylbutyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-phenylbutyl)piperazine
PubChem CID12730763
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-methyl-4-(4-phenylbutyl)piperazine
SMILESCN1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyJQPPCEQMCVBSBU-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(4-phenylbutyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2913
CID 2913
CID 6726
CID 6726
CID 1388
CID 1388
CID 91694
CID 91694
CID 25125
CID 25125
CID 3678
CID 3678
CID 31738
CID 31738
CID 75994
CID 75994
CID 197785
CID 197785
CID 9513
CID 9513
CID 20006
CID 20006
CID 200601
CID 200601

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylbutyl)piperazine?
The IUPAC name of 1-methyl-4-(4-phenylbutyl)piperazine (CID 12730763) is 1-methyl-4-(4-phenylbutyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-phenylbutyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-phenylbutyl)piperazine is CN1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(4-phenylbutyl)piperazine?
The InChIKey is JQPPCEQMCVBSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3.
What are the key properties of 1-methyl-4-(4-phenylbutyl)piperazine?
1-methyl-4-(4-phenylbutyl)piperazine has a molecular weight of 232.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylbutyl)piperazine is sourced from PubChem (CID 12730763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).