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

C14H19Cl2FN2S — CID 171290220

IUPAC1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C14H17FN2S.2ClH/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;2*1H/t13-;;/m1../s1
InChIKeyWTTVBJNCMXFSEK-FFXKMJQXSA-N
MW337.29 g/mol
LogP3.66
Rot. Bonds3

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

1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride (PubChem CID 171290220) has the molecular formula C14H19Cl2FN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
PubChem CID171290220
Molecular FormulaC14H19Cl2FN2S
Molecular Weight337.29 g/mol
Exact Mass336.06
IUPAC Name1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@H](c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C14H17FN2S.2ClH/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;2*1H/t13-;;/m1../s1
InChIKeyWTTVBJNCMXFSEK-FFXKMJQXSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
CID 171290219
(3R)-3-(1-benzothiophen-3-yl)-3-piperazin-1-ylpropanenitrile
CID 171306801
1-[(1S)-1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171277623
1-[(1S)-1-(1-benzothiophen-3-yl)pent-4-enyl]piperazine
CID 171277620
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)-2-piperazin-1-ylethanol;hydrochloride
CID 67083410
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]piperazine
CID 3286805
2-(azepan-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 55108750

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride (CID 171290220) is 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@H](c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride?
The InChIKey is WTTVBJNCMXFSEK-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H17FN2S.2ClH/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;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride?
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride has a molecular weight of 337.29 g/mol, XLogP of 3.66, 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;dihydrochloride is sourced from PubChem (CID 171290220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).