1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

C16H19FN2S — CID 23826432

IUPAC1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C16H19FN2S/c1-13-2-7-16(20-13)12-18-8-10-19(11-9-18)15-5-3-14(17)4-6-15/h2-7H,8-12H2,1H3
InChIKeyUHJUOBIITDBIPC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 23826432) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID23826432
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C16H19FN2S/c1-13-2-7-16(20-13)12-18-8-10-19(11-9-18)15-5-3-14(17)4-6-15/h2-7H,8-12H2,1H3
InChIKeyUHJUOBIITDBIPC-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (CID 23826432) is 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is UHJUOBIITDBIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-13-2-7-16(20-13)12-18-8-10-19(11-9-18)15-5-3-14(17)4-6-15/h2-7H,8-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 23826432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).