1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine

C15H17FN2S — CID 3694081

IUPAC1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESFc1ccccc1C(c1cccs1)N1CCNCC1
InChIInChI=1S/C15H17FN2S/c16-13-5-2-1-4-12(13)15(14-6-3-11-19-14)18-9-7-17-8-10-18/h1-6,11,15,17H,7-10H2
InChIKeyBKJIBINFMCGNDZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.88
Rot. Bonds3

About 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine

1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 3694081) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID3694081
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESFc1ccccc1C(c1cccs1)N1CCNCC1
InChIInChI=1S/C15H17FN2S/c16-13-5-2-1-4-12(13)15(14-6-3-11-19-14)18-9-7-17-8-10-18/h1-6,11,15,17H,7-10H2
InChIKeyBKJIBINFMCGNDZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1817785
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CID 961320
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CID 6485298
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CID 20115426
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CID 4868418
CID 4868418
CID 24746854
CID 24746854
CID 1817795
CID 1817795
CID 14548167
CID 14548167
CID 42951112
CID 42951112
CID 43180384
CID 43180384
CID 42773975
CID 42773975
CID 3236509
CID 3236509

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine (CID 3694081) is 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine is Fc1ccccc1C(c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is BKJIBINFMCGNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-5-2-1-4-12(13)15(14-6-3-11-19-14)18-9-7-17-8-10-18/h1-6,11,15,17H,7-10H2.
What are the key properties of 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 276.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 3694081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).