1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine

C14H17FN2S — CID 117174687

IUPAC1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2csc3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN2S/c1-16-4-6-17(7-5-16)9-11-10-18-14-3-2-12(15)8-13(11)14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFYPAOICUBVWJGY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds2

About 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine

1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine (PubChem CID 117174687) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine
PubChem CID117174687
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2csc3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN2S/c1-16-4-6-17(7-5-16)9-11-10-18-14-3-2-12(15)8-13(11)14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFYPAOICUBVWJGY-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine
CID 18797402
4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]benzenethiol
CID 91656917
1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
CID 117185053
4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
CID 117185055
[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 33261222
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027
3-[(4-methylpiperazin-1-yl)methyl]-1-benzothiophen-4-ol
CID 117170857
1-[(5-bromo-1-benzothiophen-3-yl)methyl]piperazine
CID 117174683
2-[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63738856

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine (CID 117174687) is 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine is CN1CCN(Cc2csc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine?
The InChIKey is FYPAOICUBVWJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-16-4-6-17(7-5-16)9-11-10-18-14-3-2-12(15)8-13(11)14/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine?
1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine has a molecular weight of 264.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 117174687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).