1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine

C15H19BrF3N — CID 107079906

IUPAC1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
SMILESCCC1CCCCN1c1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C15H19BrF3N/c1-2-12-5-3-4-8-20(12)14-7-6-11(10-16)9-13(14)15(17,18)19/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyOMPMMBUWLIOAAI-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.37
Rot. Bonds3

About 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine

1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine (PubChem CID 107079906) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
PubChem CID107079906
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
SMILESCCC1CCCCN1c1ccc(CBr)cc1C(F)(F)F
InChIInChI=1S/C15H19BrF3N/c1-2-12-5-3-4-8-20(12)14-7-6-11(10-16)9-13(14)15(17,18)19/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyOMPMMBUWLIOAAI-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 83044639
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dimethylpiperidine
CID 107082789
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine
CID 107084241
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893
1-[2-(bromomethyl)-4-methylphenyl]-2-ethylazepane
CID 114054731
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 65484017
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-4,4-dimethylpiperidine
CID 107082943
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 107078953
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-3,5-dimethylpiperidine
CID 107079467

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine?
The IUPAC name of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine (CID 107079906) is 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine?
The canonical SMILES for 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine is CCC1CCCCN1c1ccc(CBr)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine?
The InChIKey is OMPMMBUWLIOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-2-12-5-3-4-8-20(12)14-7-6-11(10-16)9-13(14)15(17,18)19/h6-7,9,12H,2-5,8,10H2,1H3.
What are the key properties of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine?
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine has a molecular weight of 350.22 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine is sourced from PubChem (CID 107079906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).