1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine

C15H21F3N2 — CID 171169989

IUPAC1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
SMILESCC(C)C[C@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-10(2)7-14(20-5-3-19-4-6-20)15-12(17)8-11(16)9-13(15)18/h8-10,14,19H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyGMVHXOMZWLLMES-CQSZACIVSA-N
MW286.34 g/mol
LogP3.10
Rot. Bonds4

About 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine

1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine (PubChem CID 171169989) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
PubChem CID171169989
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
SMILESCC(C)C[C@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-10(2)7-14(20-5-3-19-4-6-20)15-12(17)8-11(16)9-13(15)18/h8-10,14,19H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyGMVHXOMZWLLMES-CQSZACIVSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
CID 171310915
1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171169542
1-[(1S)-3-methyl-1-(2,3,5,6-tetrafluorophenyl)butyl]piperazine;hydrochloride
CID 171167050
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171174411
1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
CID 171169905
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171171568
1-[(1S)-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171164612

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine (CID 171169989) is 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine is CC(C)C[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine?
The InChIKey is GMVHXOMZWLLMES-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10(2)7-14(20-5-3-19-4-6-20)15-12(17)8-11(16)9-13(15)18/h8-10,14,19H,3-7H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine?
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine is sourced from PubChem (CID 171169989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).