1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride

C16H22Cl2FN3O — CID 171282825

IUPAC1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride
SMILESCC(=O)n1cc([C@H](CF)N2CCNCC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C16H20FN3O.2ClH/c1-12(21)20-11-14(13-4-2-3-5-15(13)20)16(10-17)19-8-6-18-7-9-19;;/h2-5,11,16,18H,6-10H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyTWWAVNRHADCAGC-SQKCAUCHSA-N
MW362.28 g/mol
LogP3.06
Rot. Bonds3

About 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride

1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride (PubChem CID 171282825) has the molecular formula C16H22Cl2FN3O and a molecular weight of 362.28 g/mol. Its IUPAC name is 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride
PubChem CID171282825
Molecular FormulaC16H22Cl2FN3O
Molecular Weight362.28 g/mol
Exact Mass361.11
IUPAC Name1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride
SMILESCC(=O)n1cc([C@H](CF)N2CCNCC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C16H20FN3O.2ClH/c1-12(21)20-11-14(13-4-2-3-5-15(13)20)16(10-17)19-8-6-18-7-9-19;;/h2-5,11,16,18H,6-10H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyTWWAVNRHADCAGC-SQKCAUCHSA-N
XLogP3.06
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1S)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride
CID 171295445
1-[3-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]indol-1-yl]ethanone;dihydrochloride
CID 171304075
1-[3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]indol-1-yl]ethanone;dihydrochloride
CID 171310478
1-[3-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride
CID 171282823
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-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171290220
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
1-methyl-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]indole
CID 95487496
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride?
The IUPAC name of 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride (CID 171282825) is 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride is CC(=O)n1cc([C@H](CF)N2CCNCC2)c2ccccc21.Cl.Cl.
What is the InChIKey of 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride?
The InChIKey is TWWAVNRHADCAGC-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H20FN3O.2ClH/c1-12(21)20-11-14(13-4-2-3-5-15(13)20)16(10-17)19-8-6-18-7-9-19;;/h2-5,11,16,18H,6-10H2,1H3;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride?
1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride has a molecular weight of 362.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 171282825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).