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

C12H13BrF3N — CID 91620600

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C12H13BrF3N/c13-9-4-5-11(10(8-9)12(14,15)16)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChIKeyQKDVZRPRWAQGFF-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.46
Rot. Bonds1

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

1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 91620600) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
PubChem CID91620600
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C12H13BrF3N/c13-9-4-5-11(10(8-9)12(14,15)16)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChIKeyQKDVZRPRWAQGFF-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
1-[4-bromo-2-(trifluoromethyl)phenyl]-3,3-dimethyl-1,4-diazepane
CID 64943404
(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 103696653
1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
CID 65483428
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
1-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 115370963
1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine
CID 168511656
methyl 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 115538322
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]azocane
CID 163787367

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine (CID 91620600) is 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1cc(Br)ccc1N1CCCCC1.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is QKDVZRPRWAQGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-9-4-5-11(10(8-9)12(14,15)16)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine?
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 308.14 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 91620600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).