1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine

C14H17BrF3NO — CID 60670302

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
SMILESCOc1ccc(Br)cc1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17BrF3NO/c1-20-13-5-4-12(15)7-10(13)8-19-6-2-3-11(9-19)14(16,17)18/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyUZFZTKJCFIMRAJ-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.23
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine

1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine (PubChem CID 60670302) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
PubChem CID60670302
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
SMILESCOc1ccc(Br)cc1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17BrF3NO/c1-20-13-5-4-12(15)7-10(13)8-19-6-2-3-11(9-19)14(16,17)18/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyUZFZTKJCFIMRAJ-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)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

1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
2-[(5-bromo-2-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78950366
1-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 170453833
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 1333767
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine (CID 60670302) is 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine is COc1ccc(Br)cc1CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine?
The InChIKey is UZFZTKJCFIMRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-20-13-5-4-12(15)7-10(13)8-19-6-2-3-11(9-19)14(16,17)18/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine?
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine has a molecular weight of 352.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 60670302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).