1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine

C14H17BrF3N — CID 169409815

IUPAC1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
SMILESCC(c1ccccc1Br)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H17BrF3N/c1-10(12-4-2-3-5-13(12)15)19-8-6-11(7-9-19)14(16,17)18/h2-5,10-11H,6-9H2,1H3
InChIKeyJQPJHOSGRLIPBD-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.78
Rot. Bonds2

About 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine

1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine (PubChem CID 169409815) has the molecular formula C14H17BrF3N and a molecular weight of 336.20 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
PubChem CID169409815
Molecular FormulaC14H17BrF3N
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Name1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
SMILESCC(c1ccccc1Br)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H17BrF3N/c1-10(12-4-2-3-5-13(12)15)19-8-6-11(7-9-19)14(16,17)18/h2-5,10-11H,6-9H2,1H3
InChIKeyJQPJHOSGRLIPBD-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
1-[1-(2-bromophenyl)ethyl]azetidin-3-amine
CID 65244722
3-[1-[1-(2-bromophenyl)ethyl]piperidin-4-yl]oxypropan-1-amine
CID 79732026
2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
CID 47520556
tert-butyl 4-[1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 169409829
1-[1-(2-bromophenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064952
5-bromo-2-[1-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyridine
CID 170765159
1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172647988
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81382952
2-bromo-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 131473200
4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
CID 164918393
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine (CID 169409815) is 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine is CC(c1ccccc1Br)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine?
The InChIKey is JQPJHOSGRLIPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N/c1-10(12-4-2-3-5-13(12)15)19-8-6-11(7-9-19)14(16,17)18/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine?
1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine has a molecular weight of 336.20 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 169409815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).