1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine

C13H14BrClF3N — CID 172647988

IUPAC1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2c(Cl)cccc2Br)CC1
InChIInChI=1S/C13H14BrClF3N/c14-11-2-1-3-12(15)10(11)8-19-6-4-9(5-7-19)13(16,17)18/h1-3,9H,4-8H2
InChIKeyCYBWPGHPRXMKGE-UHFFFAOYSA-N
MW356.61 g/mol
LogP4.88
Rot. Bonds2

About 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine

1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine (PubChem CID 172647988) has the molecular formula C13H14BrClF3N and a molecular weight of 356.61 g/mol. Its IUPAC name is 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
PubChem CID172647988
Molecular FormulaC13H14BrClF3N
Molecular Weight356.61 g/mol
Exact Mass355.00
IUPAC Name1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2c(Cl)cccc2Br)CC1
InChIInChI=1S/C13H14BrClF3N/c14-11-2-1-3-12(15)10(11)8-19-6-4-9(5-7-19)13(16,17)18/h1-3,9H,4-8H2
InChIKeyCYBWPGHPRXMKGE-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine
CID 125115938
1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 165413623
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 146026972
2-chloro-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenol
CID 114272041
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
CID 103054322
1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755742
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine (CID 172647988) is 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(Cc2c(Cl)cccc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is CYBWPGHPRXMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClF3N/c14-11-2-1-3-12(15)10(11)8-19-6-4-9(5-7-19)13(16,17)18/h1-3,9H,4-8H2.
What are the key properties of 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine?
1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 356.61 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 172647988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).