2-methyl-5-(2,4,5-trifluorophenyl)piperidine

C12H14F3N — CID 115503199

IUPAC2-methyl-5-(2,4,5-trifluorophenyl)piperidine
SMILESCC1CCC(c2cc(F)c(F)cc2F)CN1
InChIInChI=1S/C12H14F3N/c1-7-2-3-8(6-16-7)9-4-11(14)12(15)5-10(9)13/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyGYSRGYYRNZAANV-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.96
Rot. Bonds1

About 2-methyl-5-(2,4,5-trifluorophenyl)piperidine

2-methyl-5-(2,4,5-trifluorophenyl)piperidine (PubChem CID 115503199) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-5-(2,4,5-trifluorophenyl)piperidine.

Molecular Properties

Compound Name2-methyl-5-(2,4,5-trifluorophenyl)piperidine
PubChem CID115503199
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-methyl-5-(2,4,5-trifluorophenyl)piperidine
SMILESCC1CCC(c2cc(F)c(F)cc2F)CN1
InChIInChI=1S/C12H14F3N/c1-7-2-3-8(6-16-7)9-4-11(14)12(15)5-10(9)13/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyGYSRGYYRNZAANV-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,4,5-trifluorophenyl)piperidine?
The IUPAC name of 2-methyl-5-(2,4,5-trifluorophenyl)piperidine (CID 115503199) is 2-methyl-5-(2,4,5-trifluorophenyl)piperidine.
What is the SMILES notation for 2-methyl-5-(2,4,5-trifluorophenyl)piperidine?
The canonical SMILES for 2-methyl-5-(2,4,5-trifluorophenyl)piperidine is CC1CCC(c2cc(F)c(F)cc2F)CN1.
What is the InChIKey of 2-methyl-5-(2,4,5-trifluorophenyl)piperidine?
The InChIKey is GYSRGYYRNZAANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-7-2-3-8(6-16-7)9-4-11(14)12(15)5-10(9)13/h4-5,7-8,16H,2-3,6H2,1H3.
What are the key properties of 2-methyl-5-(2,4,5-trifluorophenyl)piperidine?
2-methyl-5-(2,4,5-trifluorophenyl)piperidine has a molecular weight of 229.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,4,5-trifluorophenyl)piperidine is sourced from PubChem (CID 115503199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).