1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine

C23H25FN2S — CID 22554387

IUPAC1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine
SMILESCc1ccc(-c2c(CN3CCN(c4ccccc4F)CC3)csc2C)cc1
InChIInChI=1S/C23H25FN2S/c1-17-7-9-19(10-8-17)23-18(2)27-16-20(23)15-25-11-13-26(14-12-25)22-6-4-3-5-21(22)24/h3-10,16H,11-15H2,1-2H3
InChIKeyWJLGIURJNOXENI-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.49
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine

1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine (PubChem CID 22554387) has the molecular formula C23H25FN2S and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine
PubChem CID22554387
Molecular FormulaC23H25FN2S
Molecular Weight380.53 g/mol
Exact Mass380.17
IUPAC Name1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine
SMILESCc1ccc(-c2c(CN3CCN(c4ccccc4F)CC3)csc2C)cc1
InChIInChI=1S/C23H25FN2S/c1-17-7-9-19(10-8-17)23-18(2)27-16-20(23)15-25-11-13-26(14-12-25)22-6-4-3-5-21(22)24/h3-10,16H,11-15H2,1-2H3
InChIKeyWJLGIURJNOXENI-UHFFFAOYSA-N
XLogP5.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine (CID 22554387) is 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine is Cc1ccc(-c2c(CN3CCN(c4ccccc4F)CC3)csc2C)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine?
The InChIKey is WJLGIURJNOXENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2S/c1-17-7-9-19(10-8-17)23-18(2)27-16-20(23)15-25-11-13-26(14-12-25)22-6-4-3-5-21(22)24/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine has a molecular weight of 380.53 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine is sourced from PubChem (CID 22554387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).