1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine

C17H23ClF4N2 — CID 171171538

IUPAC1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1c(C(F)(F)F)ccc(Cl)c1F)N1CCNCC1
InChIInChI=1S/C17H23ClF4N2/c1-3-4-11(2)16(24-9-7-23-8-10-24)14-12(17(20,21)22)5-6-13(18)15(14)19/h5-6,11,16,23H,3-4,7-10H2,1-2H3/t11?,16-/m1/s1
InChIKeyGCYZRWWPTODMDM-WVQRXBFSSA-N
MW366.83 g/mol
LogP4.88
Rot. Bonds5

About 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine

1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine (PubChem CID 171171538) has the molecular formula C17H23ClF4N2 and a molecular weight of 366.83 g/mol. Its IUPAC name is 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
PubChem CID171171538
Molecular FormulaC17H23ClF4N2
Molecular Weight366.83 g/mol
Exact Mass366.15
IUPAC Name1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1c(C(F)(F)F)ccc(Cl)c1F)N1CCNCC1
InChIInChI=1S/C17H23ClF4N2/c1-3-4-11(2)16(24-9-7-23-8-10-24)14-12(17(20,21)22)5-6-13(18)15(14)19/h5-6,11,16,23H,3-4,7-10H2,1-2H3/t11?,16-/m1/s1
InChIKeyGCYZRWWPTODMDM-WVQRXBFSSA-N
XLogP4.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]butyl]piperazine
CID 171166242
1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171165396
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171167614
1-[(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171292589
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170836
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine
CID 171173226
1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308030
1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171171510
1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171292605
(3R)-3-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171173862
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171166477
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine (CID 171171538) is 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine is CCCC(C)[C@H](c1c(C(F)(F)F)ccc(Cl)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
The InChIKey is GCYZRWWPTODMDM-WVQRXBFSSA-N. The full InChI is InChI=1S/C17H23ClF4N2/c1-3-4-11(2)16(24-9-7-23-8-10-24)14-12(17(20,21)22)5-6-13(18)15(14)19/h5-6,11,16,23H,3-4,7-10H2,1-2H3/t11?,16-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine?
1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine has a molecular weight of 366.83 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine is sourced from PubChem (CID 171171538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).