1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine

C24H33FN2 — CID 44553059

IUPAC1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine
SMILESCCCCCc1cc(CCN2CCN(c3ccc(F)cc3)CC2)ccc1C
InChIInChI=1S/C24H33FN2/c1-3-4-5-6-22-19-21(8-7-20(22)2)13-14-26-15-17-27(18-16-26)24-11-9-23(25)10-12-24/h7-12,19H,3-6,13-18H2,1-2H3
InChIKeyXGQDLHOQHAEGTQ-UHFFFAOYSA-N
MW368.54 g/mol
LogP5.23
Rot. Bonds8

About 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine

1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine (PubChem CID 44553059) has the molecular formula C24H33FN2 and a molecular weight of 368.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine
PubChem CID44553059
Molecular FormulaC24H33FN2
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC Name1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine
SMILESCCCCCc1cc(CCN2CCN(c3ccc(F)cc3)CC2)ccc1C
InChIInChI=1S/C24H33FN2/c1-3-4-5-6-22-19-21(8-7-20(22)2)13-14-26-15-17-27(18-16-26)24-11-9-23(25)10-12-24/h7-12,19H,3-6,13-18H2,1-2H3
InChIKeyXGQDLHOQHAEGTQ-UHFFFAOYSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 55.23
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-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine (CID 44553059) is 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine is CCCCCc1cc(CCN2CCN(c3ccc(F)cc3)CC2)ccc1C.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine?
The InChIKey is XGQDLHOQHAEGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2/c1-3-4-5-6-22-19-21(8-7-20(22)2)13-14-26-15-17-27(18-16-26)24-11-9-23(25)10-12-24/h7-12,19H,3-6,13-18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine?
1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine has a molecular weight of 368.54 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine is sourced from PubChem (CID 44553059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).