2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine

C12H13BrF3N — CID 151128728

IUPAC2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCCCC2Br)cc1
InChIInChI=1S/C12H13BrF3N/c13-11-3-1-2-8-17(11)10-6-4-9(5-7-10)12(14,15)16/h4-7,11H,1-3,8H2
InChIKeyMTTCWJXABNGYHL-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.42
Rot. Bonds1

About 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine

2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 151128728) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID151128728
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCCCC2Br)cc1
InChIInChI=1S/C12H13BrF3N/c13-11-3-1-2-8-17(11)10-6-4-9(5-7-10)12(14,15)16/h4-7,11H,1-3,8H2
InChIKeyMTTCWJXABNGYHL-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(trifluoromethyl)phenyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 155665749
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788
2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107304128
3-(2-bromoethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 114800769
1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512748
1-phenyl-2-(trifluoromethyl)piperidine
CID 144718854
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 71324632
(2R)-1-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylic acid
CID 135081163
1-cyclohexylsulfanyl-4-(trifluoromethyl)benzene
CID 59882106
2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide
CID 70797932

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine (CID 151128728) is 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccc(N2CCCCC2Br)cc1.
What is the InChIKey of 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is MTTCWJXABNGYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-11-3-1-2-8-17(11)10-6-4-9(5-7-10)12(14,15)16/h4-7,11H,1-3,8H2.
What are the key properties of 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine?
2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 308.14 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 151128728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).