1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine

C10H14ClFN2S — CID 131567045

IUPAC1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H14ClFN2S/c11-10-2-1-9(15-10)8(7-12)14-5-3-13-4-6-14/h1-2,8,13H,3-7H2/t8-/m1/s1
InChIKeyXTSQEDAOZOKAEP-MRVPVSSYSA-N
MW248.75 g/mol
LogP2.32
Rot. Bonds3

About 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine

1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine (PubChem CID 131567045) has the molecular formula C10H14ClFN2S and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
PubChem CID131567045
Molecular FormulaC10H14ClFN2S
Molecular Weight248.75 g/mol
Exact Mass248.06
IUPAC Name1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H14ClFN2S/c11-10-2-1-9(15-10)8(7-12)14-5-3-13-4-6-14/h1-2,8,13H,3-7H2/t8-/m1/s1
InChIKeyXTSQEDAOZOKAEP-MRVPVSSYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
2-Thiophen-2-yl-piperazine
CID 2771726
2-(Thiophen-2-yl)piperazine dihydrochloride
CID 71779098
((5-Chlorothiophen-2-yl)methyl)(ethyl)amine
CID 2450168
1-[(5-Chlorothiophen-2-yl)methyl]piperazine
CID 2455012
2-(5-Chloro-2-thienyl)pyrrolidine
CID 4305829
((5-Chlorothiophen-2-yl)methyl)(2-methylpropyl)amine
CID 28566255
2-(5-Chlorothiophen-2-yl)pyrrolidine hydrochloride
CID 165715673
4-[(5-Chlorothiophen-2-yl)methyl]piperazin-2-one
CID 47104644
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 96452955
1-[(5-Fluorothiophen-2-yl)methyl]piperidin-4-amine
CID 50896518

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine (CID 131567045) is 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine is FC[C@H](c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine?
The InChIKey is XTSQEDAOZOKAEP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClFN2S/c11-10-2-1-9(15-10)8(7-12)14-5-3-13-4-6-14/h1-2,8,13H,3-7H2/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine?
1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine has a molecular weight of 248.75 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 131567045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).