1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine

C21H26F2N2 — CID 53317379

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine
SMILESCN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26F2N2/c1-24-13-15-25(16-14-24)12-2-3-21(17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,21H,2-3,12-16H2,1H3
InChIKeySXIJJAAUHPKVIX-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.12
Rot. Bonds6

About 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine

1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine (PubChem CID 53317379) has the molecular formula C21H26F2N2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine
PubChem CID53317379
Molecular FormulaC21H26F2N2
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine
SMILESCN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26F2N2/c1-24-13-15-25(16-14-24)12-2-3-21(17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,21H,2-3,12-16H2,1H3
InChIKeySXIJJAAUHPKVIX-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine (CID 53317379) is 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine is CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine?
The InChIKey is SXIJJAAUHPKVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2/c1-24-13-15-25(16-14-24)12-2-3-21(17-4-8-19(22)9-5-17)18-6-10-20(23)11-7-18/h4-11,21H,2-3,12-16H2,1H3.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine?
1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine has a molecular weight of 344.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-4-methylpiperazine is sourced from PubChem (CID 53317379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).