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

C17H23F3N2S — CID 171165271

IUPAC1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
SMILESFC(F)(F)Sc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H23F3N2S/c18-17(19,20)23-15-7-5-14(6-8-15)16(13-3-1-2-4-13)22-11-9-21-10-12-22/h5-8,13,16,21H,1-4,9-12H2/t16-/m0/s1
InChIKeyXZYDBPQWLDXRGN-INIZCTEOSA-N
MW344.45 g/mol
LogP4.43
Rot. Bonds4

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

1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine (PubChem CID 171165271) has the molecular formula C17H23F3N2S and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
PubChem CID171165271
Molecular FormulaC17H23F3N2S
Molecular Weight344.45 g/mol
Exact Mass344.15
IUPAC Name1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
SMILESFC(F)(F)Sc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C17H23F3N2S/c18-17(19,20)23-15-7-5-14(6-8-15)16(13-3-1-2-4-13)22-11-9-21-10-12-22/h5-8,13,16,21H,1-4,9-12H2/t16-/m0/s1
InChIKeyXZYDBPQWLDXRGN-INIZCTEOSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopropyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171278996
1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
CID 171281956
1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 171166981
1-[(S)-cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171178431
1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292277
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride
CID 171172586
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine (CID 171165271) is 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine is FC(F)(F)Sc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
The InChIKey is XZYDBPQWLDXRGN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23F3N2S/c18-17(19,20)23-15-7-5-14(6-8-15)16(13-3-1-2-4-13)22-11-9-21-10-12-22/h5-8,13,16,21H,1-4,9-12H2/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine?
1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine has a molecular weight of 344.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171165271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).