1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine

C30H39FN4 — CID 22318657

IUPAC1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine
SMILESFc1ccc(C(CN2CCN(CCCCc3cccc4ccccc34)CC2)N2CCNCC2)cc1
InChIInChI=1S/C30H39FN4/c31-28-13-11-27(12-14-28)30(35-18-15-32-16-19-35)24-34-22-20-33(21-23-34)17-4-3-7-26-9-5-8-25-6-1-2-10-29(25)26/h1-2,5-6,8-14,30,32H,3-4,7,15-24H2
InChIKeyJEBZCEJQMHNUBU-UHFFFAOYSA-N
MW474.67 g/mol
LogP4.57
Rot. Bonds9

About 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine

1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine (PubChem CID 22318657) has the molecular formula C30H39FN4 and a molecular weight of 474.67 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine
PubChem CID22318657
Molecular FormulaC30H39FN4
Molecular Weight474.67 g/mol
Exact Mass474.32
IUPAC Name1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine
SMILESFc1ccc(C(CN2CCN(CCCCc3cccc4ccccc34)CC2)N2CCNCC2)cc1
InChIInChI=1S/C30H39FN4/c31-28-13-11-27(12-14-28)30(35-18-15-32-16-19-35)24-34-22-20-33(21-23-34)17-4-3-7-26-9-5-8-25-6-1-2-10-29(25)26/h1-2,5-6,8-14,30,32H,3-4,7,15-24H2
InChIKeyJEBZCEJQMHNUBU-UHFFFAOYSA-N
XLogP4.57
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.67
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine (CID 22318657) is 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine is Fc1ccc(C(CN2CCN(CCCCc3cccc4ccccc34)CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine?
The InChIKey is JEBZCEJQMHNUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4/c31-28-13-11-27(12-14-28)30(35-18-15-32-16-19-35)24-34-22-20-33(21-23-34)17-4-3-7-26-9-5-8-25-6-1-2-10-29(25)26/h1-2,5-6,8-14,30,32H,3-4,7,15-24H2.
What are the key properties of 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine?
1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine has a molecular weight of 474.67 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(4-naphthalen-1-ylbutyl)piperazine is sourced from PubChem (CID 22318657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).