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

C23H27F3N2 — CID 171166981

IUPAC1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(-c2ccc([C@H](C3CCCC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C23H27F3N2/c24-23(25,26)21-11-9-18(10-12-21)17-5-7-20(8-6-17)22(19-3-1-2-4-19)28-15-13-27-14-16-28/h5-12,19,22,27H,1-4,13-16H2/t22-/m0/s1
InChIKeyXWMDCTQQJFTOPJ-QFIPXVFZSA-N
MW388.48 g/mol
LogP5.51
Rot. Bonds4

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

1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (PubChem CID 171166981) has the molecular formula C23H27F3N2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
PubChem CID171166981
Molecular FormulaC23H27F3N2
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(-c2ccc([C@H](C3CCCC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C23H27F3N2/c24-23(25,26)21-11-9-18(10-12-21)17-5-7-20(8-6-17)22(19-3-1-2-4-19)28-15-13-27-14-16-28/h5-12,19,22,27H,1-4,13-16H2/t22-/m0/s1
InChIKeyXWMDCTQQJFTOPJ-QFIPXVFZSA-N
XLogP5.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171178431
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;hydrochloride
CID 171162869
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171165271
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-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171165291

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (CID 171166981) is 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is FC(F)(F)c1ccc(-c2ccc([C@H](C3CCCC3)N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The InChIKey is XWMDCTQQJFTOPJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27F3N2/c24-23(25,26)21-11-9-18(10-12-21)17-5-7-20(8-6-17)22(19-3-1-2-4-19)28-15-13-27-14-16-28/h5-12,19,22,27H,1-4,13-16H2/t22-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine has a molecular weight of 388.48 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 171166981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).