3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole

C15H18F3N3 — CID 171302294

IUPAC3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
SMILESFC(F)(F)C[C@@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)9-14(21-7-5-19-6-8-21)12-10-20-13-4-2-1-3-11(12)13/h1-4,10,14,19-20H,5-9H2/t14-/m0/s1
InChIKeyHKGLNDGKALZIKB-AWEZNQCLSA-N
MW297.32 g/mol
LogP3.07
Rot. Bonds3

About 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole

3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole (PubChem CID 171302294) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole.

Molecular Properties

Compound Name3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
PubChem CID171302294
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
SMILESFC(F)(F)C[C@@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)9-14(21-7-5-19-6-8-21)12-10-20-13-4-2-1-3-11(12)13/h1-4,10,14,19-20H,5-9H2/t14-/m0/s1
InChIKeyHKGLNDGKALZIKB-AWEZNQCLSA-N
XLogP3.07
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171171355
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
1-[(1S)-3,3,3-trifluoro-1-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171167067
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1R)-3,3,3-trifluoro-1-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine;hydrochloride
CID 171172578
1-[(1S)-1-anthracen-9-yl-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302274

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole?
The IUPAC name of 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole (CID 171302294) is 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole.
What is the SMILES notation for 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole?
The canonical SMILES for 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole is FC(F)(F)C[C@@H](c1c[nH]c2ccccc12)N1CCNCC1.
What is the InChIKey of 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole?
The InChIKey is HKGLNDGKALZIKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18F3N3/c16-15(17,18)9-14(21-7-5-19-6-8-21)12-10-20-13-4-2-1-3-11(12)13/h1-4,10,14,19-20H,5-9H2/t14-/m0/s1.
What are the key properties of 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole?
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole has a molecular weight of 297.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole is sourced from PubChem (CID 171302294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).