1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine

C15H17FN2S — CID 92754518

IUPAC1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESFc1cccc([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H17FN2S/c16-13-4-1-3-12(11-13)15(14-5-2-10-19-14)18-8-6-17-7-9-18/h1-5,10-11,15,17H,6-9H2/t15-/m0/s1
InChIKeyCTMXRSUNNFUAPL-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.88
Rot. Bonds3

About 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine

1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 92754518) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID92754518
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESFc1cccc([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H17FN2S/c16-13-4-1-3-12(11-13)15(14-5-2-10-19-14)18-8-6-17-7-9-18/h1-5,10-11,15,17H,6-9H2/t15-/m0/s1
InChIKeyCTMXRSUNNFUAPL-HNNXBMFYSA-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

1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(R)-(3-iodophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171280709
1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171276826
1-[(S)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289451
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]benzonitrile
CID 171287618
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171178496
1-[(S)-[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171176360
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171179028
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine (CID 92754518) is 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine is Fc1cccc([C@@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is CTMXRSUNNFUAPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-4-1-3-12(11-13)15(14-5-2-10-19-14)18-8-6-17-7-9-18/h1-5,10-11,15,17H,6-9H2/t15-/m0/s1.
What are the key properties of 1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine?
1-[(S)-(3-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-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 92754518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).