2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine

C15H20BrF3N2 — CID 65484017

IUPAC2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-20-8-7-12-4-2-3-9-21(12)14-6-5-11(16)10-13(14)15(17,18)19/h5-6,10,12,20H,2-4,7-9H2,1H3
InChIKeyMTBOLJVVLSYGPF-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.44
Rot. Bonds4

About 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine

2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine (PubChem CID 65484017) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
PubChem CID65484017
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC Name2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H20BrF3N2/c1-20-8-7-12-4-2-3-9-21(12)14-6-5-11(16)10-13(14)15(17,18)19/h5-6,10,12,20H,2-4,7-9H2,1H3
InChIKeyMTBOLJVVLSYGPF-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 107303791
[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 83044639
methyl 1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 115538322
3-bromo-4-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 82810078
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
CID 107079906
1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
CID 65483428
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
methyl 1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate
CID 65483438
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine
CID 114449920
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 114374414
1-[5-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carbaldehyde
CID 107290036

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine (CID 65484017) is 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine is CNCCC1CCCCN1c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
The InChIKey is MTBOLJVVLSYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-20-8-7-12-4-2-3-9-21(12)14-6-5-11(16)10-13(14)15(17,18)19/h5-6,10,12,20H,2-4,7-9H2,1H3.
What are the key properties of 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine has a molecular weight of 365.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 65484017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).