1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine

C14H17FN2S — CID 171290219

IUPAC1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C14H17FN2S/c15-9-13(17-7-5-16-6-8-17)12-10-18-14-4-2-1-3-11(12)14/h1-4,10,13,16H,5-9H2/t13-/m1/s1
InChIKeyJUFVDELRIDKXQF-CYBMUJFWSA-N
MW264.37 g/mol
LogP2.82
Rot. Bonds3

About 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine

1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine (PubChem CID 171290219) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
PubChem CID171290219
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
SMILESFC[C@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C14H17FN2S/c15-9-13(17-7-5-16-6-8-17)12-10-18-14-4-2-1-3-11(12)14/h1-4,10,13,16H,5-9H2/t13-/m1/s1
InChIKeyJUFVDELRIDKXQF-CYBMUJFWSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171290220
(3R)-3-(1-benzothiophen-3-yl)-3-piperazin-1-ylpropanenitrile
CID 171306801
1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine
CID 171277620
1-[(1S)-1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171277623
1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
CID 171290243
2-(1-benzothiophen-3-yl)-2-piperazin-1-ylacetic acid
CID 62699815
1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
CID 3947459
1-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]piperazine
CID 3286805
2-(1-benzothiophen-3-yl)-2-piperidin-1-ylethanol
CID 116860154
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 67083410
1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3621959

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine (CID 171290219) is 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine is FC[C@H](c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine?
The InChIKey is JUFVDELRIDKXQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17FN2S/c15-9-13(17-7-5-16-6-8-17)12-10-18-14-4-2-1-3-11(12)14/h1-4,10,13,16H,5-9H2/t13-/m1/s1.
What are the key properties of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine?
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine has a molecular weight of 264.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 171290219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).