1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine

C20H25FN2 — CID 2846136

IUPAC1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine
SMILESCC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H25FN2/c1-17(18-5-3-2-4-6-18)11-12-22-13-15-23(16-14-22)20-9-7-19(21)8-10-20/h2-10,17H,11-16H2,1H3
InChIKeyGPNQMDLKARMLTR-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.14
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine

1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine (PubChem CID 2846136) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine
PubChem CID2846136
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine
SMILESCC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H25FN2/c1-17(18-5-3-2-4-6-18)11-12-22-13-15-23(16-14-22)20-9-7-19(21)8-10-20/h2-10,17H,11-16H2,1H3
InChIKeyGPNQMDLKARMLTR-UHFFFAOYSA-N
XLogP4.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine (CID 2846136) is 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine is CC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine?
The InChIKey is GPNQMDLKARMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-17(18-5-3-2-4-6-18)11-12-22-13-15-23(16-14-22)20-9-7-19(21)8-10-20/h2-10,17H,11-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine?
1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine has a molecular weight of 312.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(3-phenylbutyl)piperazine is sourced from PubChem (CID 2846136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).