5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline

C15H18FN3S — CID 19627098

IUPAC5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline
SMILESNc1cc(F)ccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H18FN3S/c16-12-3-4-15(14(17)10-12)19-7-5-18(6-8-19)11-13-2-1-9-20-13/h1-4,9-10H,5-8,11,17H2
InChIKeyYVNBFJLYEMDVNL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.79
Rot. Bonds3

About 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline

5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline (PubChem CID 19627098) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline
PubChem CID19627098
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline
SMILESNc1cc(F)ccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H18FN3S/c16-12-3-4-15(14(17)10-12)19-7-5-18(6-8-19)11-13-2-1-9-20-13/h1-4,9-10H,5-8,11,17H2
InChIKeyYVNBFJLYEMDVNL-UHFFFAOYSA-N
XLogP2.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 27901
Methaphenilene
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MK6-83
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CID 893389
1-(2-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
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1-Phenyl-4-(thiophen-2-ylmethyl)piperazine
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CID 16019107
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 16189251
2-fluoro-N-[[5-[(2-fluoroanilino)methyl]thiophen-2-yl]methyl]aniline
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(4-Phenylpiperazin-1-yl)-thiophen-2-ylmethanethione
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline?
The IUPAC name of 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline (CID 19627098) is 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline?
The canonical SMILES for 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline is Nc1cc(F)ccc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline?
The InChIKey is YVNBFJLYEMDVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c16-12-3-4-15(14(17)10-12)19-7-5-18(6-8-19)11-13-2-1-9-20-13/h1-4,9-10H,5-8,11,17H2.
What are the key properties of 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline?
5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline has a molecular weight of 291.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 19627098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).