1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine

C20H26FN3 — CID 90644063

IUPAC1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H26FN3/c1-17-5-10-20(22-16-17)24-14-12-23(13-15-24)11-3-2-4-18-6-8-19(21)9-7-18/h5-10,16H,2-4,11-15H2,1H3
InChIKeyKERODJLVCVZLOA-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.67
Rot. Bonds6

About 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine

1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine (PubChem CID 90644063) has the molecular formula C20H26FN3 and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine
PubChem CID90644063
Molecular FormulaC20H26FN3
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C20H26FN3/c1-17-5-10-20(22-16-17)24-14-12-23(13-15-24)11-3-2-4-18-6-8-19(21)9-7-18/h5-10,16H,2-4,11-15H2,1H3
InChIKeyKERODJLVCVZLOA-UHFFFAOYSA-N
XLogP3.67
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine (CID 90644063) is 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine is Cc1ccc(N2CCN(CCCCc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is KERODJLVCVZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3/c1-17-5-10-20(22-16-17)24-14-12-23(13-15-24)11-3-2-4-18-6-8-19(21)9-7-18/h5-10,16H,2-4,11-15H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine?
1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 327.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)butyl]-4-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 90644063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).