1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine

C17H22F4N2 — CID 171166055

IUPAC1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc([C@H](C2CCCC2)N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H22F4N2/c18-13-5-6-14(15(11-13)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m0/s1
InChIKeyZOWGRGRMTVCEMP-INIZCTEOSA-N
MW330.37 g/mol
LogP3.98
Rot. Bonds3

About 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine

1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171166055) has the molecular formula C17H22F4N2 and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171166055
Molecular FormulaC17H22F4N2
Molecular Weight330.37 g/mol
Exact Mass330.17
IUPAC Name1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc([C@H](C2CCCC2)N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H22F4N2/c18-13-5-6-14(15(11-13)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m0/s1
InChIKeyZOWGRGRMTVCEMP-INIZCTEOSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292518
1-[(R)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171171421
1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171166052
1-[(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
CID 171165357
1-[(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171280552
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387
1-[(R)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168923
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-[(S)-(2-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164424
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(R)-cyclobutyl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292074
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine (CID 171166055) is 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine is Fc1ccc([C@H](C2CCCC2)N2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ZOWGRGRMTVCEMP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22F4N2/c18-13-5-6-14(15(11-13)17(19,20)21)16(12-3-1-2-4-12)23-9-7-22-8-10-23/h5-6,11-12,16,22H,1-4,7-10H2/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 330.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171166055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).