1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine

C17H25F3N2S — CID 171310237

IUPAC1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C17H25F3N2S/c1-13(2)3-8-16(22-11-9-21-10-12-22)14-4-6-15(7-5-14)23-17(18,19)20/h4-7,13,16,21H,3,8-12H2,1-2H3/t16-/m0/s1
InChIKeyREVNWNQPFPFPFM-INIZCTEOSA-N
MW346.46 g/mol
LogP4.68
Rot. Bonds6

About 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine

1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine (PubChem CID 171310237) has the molecular formula C17H25F3N2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine
PubChem CID171310237
Molecular FormulaC17H25F3N2S
Molecular Weight346.46 g/mol
Exact Mass346.17
IUPAC Name1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C17H25F3N2S/c1-13(2)3-8-16(22-11-9-21-10-12-22)14-4-6-15(7-5-14)23-17(18,19)20/h4-7,13,16,21H,3,8-12H2,1-2H3/t16-/m0/s1
InChIKeyREVNWNQPFPFPFM-INIZCTEOSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
CID 171170580
1-[(1R)-2-fluoro-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine
CID 171182558
1-[(1R)-3,3,3-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 171170586
(2R)-2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol;hydrochloride
CID 171174552
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173138
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171309861
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005
1-[(1S)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310312

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine?
The IUPAC name of 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine (CID 171310237) is 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine?
The canonical SMILES for 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine is CC(C)CC[C@@H](c1ccc(SC(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine?
The InChIKey is REVNWNQPFPFPFM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25F3N2S/c1-13(2)3-8-16(22-11-9-21-10-12-22)14-4-6-15(7-5-14)23-17(18,19)20/h4-7,13,16,21H,3,8-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine?
1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine has a molecular weight of 346.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine is sourced from PubChem (CID 171310237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).