1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine

C15H19BrF3N — CID 107084241

IUPAC1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(c2ccc(CBr)cc2C(F)(F)F)C1
InChIInChI=1S/C15H19BrF3N/c1-10-3-4-11(2)20(9-10)14-6-5-12(8-16)7-13(14)15(17,18)19/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyFEJFSFRAOSYNAD-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.23
Rot. Bonds2

About 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine

1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine (PubChem CID 107084241) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine
PubChem CID107084241
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(c2ccc(CBr)cc2C(F)(F)F)C1
InChIInChI=1S/C15H19BrF3N/c1-10-3-4-11(2)20(9-10)14-6-5-12(8-16)7-13(14)15(17,18)19/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyFEJFSFRAOSYNAD-UHFFFAOYSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.23
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

1-Propyl-4-[2-(trifluoromethyl)phenyl]piperazine
CID 44570818
1-Propyl-4-[4-(trifluoromethyl)phenyl]piperazine
CID 44570819
1-Ethyl-4-[4-(trifluoromethyl)phenyl]piperazine
CID 57070453
1-[4-(Trifluoromethyl)phenyl]piperidine
CID 425092
6-(Bromomethyl)-1-methyl-1,2,3,4-tetrahydroquinoline hydrobromide
CID 91647573
1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]piperidine
CID 178338349
Trifluromethylphenyl-2-ethyl-amino propane
CID 124197794
4-Methyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 141873183
N-mesitylpiperidine
CID 10798205
1-(2,4-Dimethylphenyl)-4-methylpiperazine
CID 21363761
1-[4-(Trifluoromethyl)phenyl]piperidine--hydrogen chloride (1/1)
CID 24194639
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine?
The IUPAC name of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine (CID 107084241) is 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine?
The canonical SMILES for 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine is CC1CCC(C)N(c2ccc(CBr)cc2C(F)(F)F)C1.
What is the InChIKey of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine?
The InChIKey is FEJFSFRAOSYNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-10-3-4-11(2)20(9-10)14-6-5-12(8-16)7-13(14)15(17,18)19/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine?
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine has a molecular weight of 350.22 g/mol, XLogP of 5.23, 2 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]-2,5-dimethylpiperidine is sourced from PubChem (CID 107084241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).