1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide

C12H15BrF3N — CID 171925021

IUPAC1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
SMILESBr.FC(F)(F)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C12H14F3N.BrH/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-16;/h4-6,9H,1-3,7-8H2;1H
InChIKeyMUOUGJAAMFHQKZ-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.27
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide

1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide (PubChem CID 171925021) has the molecular formula C12H15BrF3N and a molecular weight of 310.16 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
PubChem CID171925021
Molecular FormulaC12H15BrF3N
Molecular Weight310.16 g/mol
Exact Mass309.03
IUPAC Name1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
SMILESBr.FC(F)(F)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C12H14F3N.BrH/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-16;/h4-6,9H,1-3,7-8H2;1H
InChIKeyMUOUGJAAMFHQKZ-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7441354
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane
CID 118904692
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide (CID 171925021) is 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide is Br.FC(F)(F)c1cccc(N2CCCCC2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide?
The InChIKey is MUOUGJAAMFHQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.BrH/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-16;/h4-6,9H,1-3,7-8H2;1H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide?
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide has a molecular weight of 310.16 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide is sourced from PubChem (CID 171925021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).