1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine

C17H24F4N2 — CID 171310315

IUPAC1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1cc(C(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C17H24F4N2/c1-12(2)3-6-16(23-9-7-22-8-10-23)14-11-13(17(19,20)21)4-5-15(14)18/h4-5,11-12,16,22H,3,6-10H2,1-2H3/t16-/m0/s1
InChIKeyVGUOUWGNOLNRNI-INIZCTEOSA-N
MW332.39 g/mol
LogP4.23
Rot. Bonds5

About 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine

1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine (PubChem CID 171310315) has the molecular formula C17H24F4N2 and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
PubChem CID171310315
Molecular FormulaC17H24F4N2
Molecular Weight332.39 g/mol
Exact Mass332.19
IUPAC Name1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1cc(C(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C17H24F4N2/c1-12(2)3-6-16(23-9-7-22-8-10-23)14-11-13(17(19,20)21)4-5-15(14)18/h4-5,11-12,16,22H,3,6-10H2,1-2H3/t16-/m0/s1
InChIKeyVGUOUWGNOLNRNI-INIZCTEOSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311008
1-[(1S)-4,4,4-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166361
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311001
1-[(1S)-3-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171166395
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310345
1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171793
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311002
(3S)-3-[2-fluoro-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile
CID 171306218
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171170650
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171309861
1-[(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311313
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311061

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine (CID 171310315) is 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine is CC(C)CC[C@@H](c1cc(C(F)(F)F)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
The InChIKey is VGUOUWGNOLNRNI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24F4N2/c1-12(2)3-6-16(23-9-7-22-8-10-23)14-11-13(17(19,20)21)4-5-15(14)18/h4-5,11-12,16,22H,3,6-10H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine?
1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine has a molecular weight of 332.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine is sourced from PubChem (CID 171310315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).