1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine

C16H23F3N2 — CID 171171899

IUPAC1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
SMILESCCCC(C)[C@H](c1cc(F)c(F)cc1F)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-3-4-11(2)16(21-7-5-20-6-8-21)12-9-14(18)15(19)10-13(12)17/h9-11,16,20H,3-8H2,1-2H3/t11?,16-/m1/s1
InChIKeyHLLHUMFHOWNWAU-WVQRXBFSSA-N
MW300.37 g/mol
LogP3.49
Rot. Bonds5

About 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine

1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine (PubChem CID 171171899) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
PubChem CID171171899
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
SMILESCCCC(C)[C@H](c1cc(F)c(F)cc1F)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-3-4-11(2)16(21-7-5-20-6-8-21)12-9-14(18)15(19)10-13(12)17/h9-11,16,20H,3-8H2,1-2H3/t11?,16-/m1/s1
InChIKeyHLLHUMFHOWNWAU-WVQRXBFSSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2-methyl-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171305480
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171163196
1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
CID 171169865
1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine
CID 171163935
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
CID 171170472
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-methylpentyl]piperazine
CID 171171984
1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168949
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171166542
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171169689
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170836

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine (CID 171171899) is 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine is CCCC(C)[C@H](c1cc(F)c(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
The InChIKey is HLLHUMFHOWNWAU-WVQRXBFSSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-4-11(2)16(21-7-5-20-6-8-21)12-9-14(18)15(19)10-13(12)17/h9-11,16,20H,3-8H2,1-2H3/t11?,16-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine?
1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine is sourced from PubChem (CID 171171899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).