4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride

C14H18Cl2F3N3 — CID 171277772

IUPAC4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESCl.Cl.FC(F)(F)[C@@H](c1cccc2[nH]ccc12)N1CCNCC1
InChIInChI=1S/C14H16F3N3.2ClH/c15-14(16,17)13(20-8-6-18-7-9-20)11-2-1-3-12-10(11)4-5-19-12;;/h1-5,13,18-19H,6-9H2;2*1H/t13-;;/m1../s1
InChIKeyZRRSLCMDDRPXCF-FFXKMJQXSA-N
MW356.22 g/mol
LogP3.52
Rot. Bonds2

About 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride

4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (PubChem CID 171277772) has the molecular formula C14H18Cl2F3N3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
PubChem CID171277772
Molecular FormulaC14H18Cl2F3N3
Molecular Weight356.22 g/mol
Exact Mass355.08
IUPAC Name4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESCl.Cl.FC(F)(F)[C@@H](c1cccc2[nH]ccc12)N1CCNCC1
InChIInChI=1S/C14H16F3N3.2ClH/c15-14(16,17)13(20-8-6-18-7-9-20)11-2-1-3-12-10(11)4-5-19-12;;/h1-5,13,18-19H,6-9H2;2*1H/t13-;;/m1../s1
InChIKeyZRRSLCMDDRPXCF-FFXKMJQXSA-N
XLogP3.52
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290393
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285064
3-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178759
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
2-fluoro-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171175021
1-[(1R)-1-(1,3-benzodioxol-4-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171282209
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole
CID 171277795
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171174920
1-[(1R)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178275
1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180957
2-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
CID 171275417
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
CID 171180294

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The IUPAC name of 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (CID 171277772) is 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The canonical SMILES for 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride is Cl.Cl.FC(F)(F)[C@@H](c1cccc2[nH]ccc12)N1CCNCC1.
What is the InChIKey of 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The InChIKey is ZRRSLCMDDRPXCF-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H16F3N3.2ClH/c15-14(16,17)13(20-8-6-18-7-9-20)11-2-1-3-12-10(11)4-5-19-12;;/h1-5,13,18-19H,6-9H2;2*1H/t13-;;/m1../s1.
What are the key properties of 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride has a molecular weight of 356.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride is sourced from PubChem (CID 171277772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).