1-phenyl-4-(4-phenylbutyl)piperazine

C20H26N2 — CID 15723883

IUPAC1-phenyl-4-(4-phenylbutyl)piperazine
SMILESc1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2/c1-3-9-19(10-4-1)11-7-8-14-21-15-17-22(18-16-21)20-12-5-2-6-13-20/h1-6,9-10,12-13H,7-8,11,14-18H2
InChIKeyBGDZXIKVCVQJFR-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.83
Rot. Bonds6

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

1-phenyl-4-(4-phenylbutyl)piperazine (PubChem CID 15723883) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-phenyl-4-(4-phenylbutyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(4-phenylbutyl)piperazine
PubChem CID15723883
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-phenyl-4-(4-phenylbutyl)piperazine
SMILESc1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2/c1-3-9-19(10-4-1)11-7-8-14-21-15-17-22(18-16-21)20-12-5-2-6-13-20/h1-6,9-10,12-13H,7-8,11,14-18H2
InChIKeyBGDZXIKVCVQJFR-UHFFFAOYSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-phenylbutyl)piperazine?
The IUPAC name of 1-phenyl-4-(4-phenylbutyl)piperazine (CID 15723883) is 1-phenyl-4-(4-phenylbutyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(4-phenylbutyl)piperazine?
The canonical SMILES for 1-phenyl-4-(4-phenylbutyl)piperazine is c1ccc(CCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(4-phenylbutyl)piperazine?
The InChIKey is BGDZXIKVCVQJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-9-19(10-4-1)11-7-8-14-21-15-17-22(18-16-21)20-12-5-2-6-13-20/h1-6,9-10,12-13H,7-8,11,14-18H2.
What are the key properties of 1-phenyl-4-(4-phenylbutyl)piperazine?
1-phenyl-4-(4-phenylbutyl)piperazine has a molecular weight of 294.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-phenylbutyl)piperazine is sourced from PubChem (CID 15723883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).