1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride

C25H29ClFN3 — CID 162645251

IUPAC1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride
SMILESCl.Fc1ccc(CCCCN2CCN(c3cccc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C25H28FN3.ClH/c26-23-14-12-21(13-15-23)7-4-5-16-28-17-19-29(20-18-28)25-11-6-10-24(27-25)22-8-2-1-3-9-22;/h1-3,6,8-15H,4-5,7,16-20H2;1H
InChIKeyAVSIXCCTQMDZPL-UHFFFAOYSA-N
MW425.98 g/mol
LogP5.45
Rot. Bonds7

About 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride

1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride (PubChem CID 162645251) has the molecular formula C25H29ClFN3 and a molecular weight of 425.98 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride
PubChem CID162645251
Molecular FormulaC25H29ClFN3
Molecular Weight425.98 g/mol
Exact Mass425.20
IUPAC Name1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride
SMILESCl.Fc1ccc(CCCCN2CCN(c3cccc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C25H28FN3.ClH/c26-23-14-12-21(13-15-23)7-4-5-16-28-17-19-29(20-18-28)25-11-6-10-24(27-25)22-8-2-1-3-9-22;/h1-3,6,8-15H,4-5,7,16-20H2;1H
InChIKeyAVSIXCCTQMDZPL-UHFFFAOYSA-N
XLogP5.45
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.98
LogP ≤ 55.45
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-(6-phenyl-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride (CID 162645251) is 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride is Cl.Fc1ccc(CCCCN2CCN(c3cccc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is AVSIXCCTQMDZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3.ClH/c26-23-14-12-21(13-15-23)7-4-5-16-28-17-19-29(20-18-28)25-11-6-10-24(27-25)22-8-2-1-3-9-22;/h1-3,6,8-15H,4-5,7,16-20H2;1H.
What are the key properties of 1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride?
1-[4-(4-fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 425.98 g/mol, XLogP of 5.45, 7 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-(6-phenyl-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 162645251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).