1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine

C15H18FN3S — CID 136513547

IUPAC1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine
SMILESFc1cccnc1N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C15H18FN3S/c16-14-4-1-6-17-15(14)19-10-8-18(9-11-19)7-5-13-3-2-12-20-13/h1-4,6,12H,5,7-11H2
InChIKeyMCPMJEPQEWUWEN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine

1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine (PubChem CID 136513547) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine
PubChem CID136513547
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine
SMILESFc1cccnc1N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C15H18FN3S/c16-14-4-1-6-17-15(14)19-10-8-18(9-11-19)7-5-13-3-2-12-20-13/h1-4,6,12H,5,7-11H2
InChIKeyMCPMJEPQEWUWEN-UHFFFAOYSA-N
XLogP2.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrimidine
CID 166364383
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
5-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyridin-2-amine
CID 63776250
7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline
CID 166222667
2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 154886466
1-(3-fluoro-2-pyridinyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine
CID 50976058
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
1-(2-thiophen-2-ylethyl)piperidine-4-carbonitrile
CID 62416012
1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
CID 136578933
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
1-(3-fluoro-2-pyridinyl)-4-(3-phenylprop-2-ynyl)piperazine
CID 142827398

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine (CID 136513547) is 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine is Fc1cccnc1N1CCN(CCc2cccs2)CC1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is MCPMJEPQEWUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c16-14-4-1-6-17-15(14)19-10-8-18(9-11-19)7-5-13-3-2-12-20-13/h1-4,6,12H,5,7-11H2.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine?
1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 291.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 136513547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).