1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine

C16H22F4N2 — CID 171170650

IUPAC1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
SMILESCC(C)C[C@H](c1ccc(C(F)(F)F)cc1F)N1CCNCC1
InChIInChI=1S/C16H22F4N2/c1-11(2)9-15(22-7-5-21-6-8-22)13-4-3-12(10-14(13)17)16(18,19)20/h3-4,10-11,15,21H,5-9H2,1-2H3/t15-/m1/s1
InChIKeyNKGFYCMSLXEQTP-OAHLLOKOSA-N
MW318.36 g/mol
LogP3.84
Rot. Bonds4

About 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine

1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine (PubChem CID 171170650) has the molecular formula C16H22F4N2 and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
PubChem CID171170650
Molecular FormulaC16H22F4N2
Molecular Weight318.36 g/mol
Exact Mass318.17
IUPAC Name1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
SMILESCC(C)C[C@H](c1ccc(C(F)(F)F)cc1F)N1CCNCC1
InChIInChI=1S/C16H22F4N2/c1-11(2)9-15(22-7-5-21-6-8-22)13-4-3-12(10-14(13)17)16(18,19)20/h3-4,10-11,15,21H,5-9H2,1-2H3/t15-/m1/s1
InChIKeyNKGFYCMSLXEQTP-OAHLLOKOSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311008
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171166855
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171297006
1-[(1S)-3-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171165308
1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165372
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171307950
(4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173767
1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310315
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171166040
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286637
1-[(1S)-2,2,2-trifluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171176590
1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine (CID 171170650) is 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine is CC(C)C[C@H](c1ccc(C(F)(F)F)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine?
The InChIKey is NKGFYCMSLXEQTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22F4N2/c1-11(2)9-15(22-7-5-21-6-8-22)13-4-3-12(10-14(13)17)16(18,19)20/h3-4,10-11,15,21H,5-9H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine?
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine has a molecular weight of 318.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine is sourced from PubChem (CID 171170650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).