5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

C13H17BrF3N3 — CID 106796664

IUPAC5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCNC1)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N3/c1-20(8-9-3-2-4-18-6-9)12-11(13(15,16)17)5-10(14)7-19-12/h5,7,9,18H,2-4,6,8H2,1H3
InChIKeyGKDLFLYQLIPVRK-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.30
Rot. Bonds3

About 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796664) has the molecular formula C13H17BrF3N3 and a molecular weight of 352.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796664
Molecular FormulaC13H17BrF3N3
Molecular Weight352.20 g/mol
Exact Mass351.06
IUPAC Name5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCNC1)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N3/c1-20(8-9-3-2-4-18-6-9)12-11(13(15,16)17)5-10(14)7-19-12/h5,7,9,18H,2-4,6,8H2,1H3
InChIKeyGKDLFLYQLIPVRK-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642815
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
5-[methyl(piperidin-3-ylmethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 106642633
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796664) is 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is CN(CC1CCCNC1)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GKDLFLYQLIPVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N3/c1-20(8-9-3-2-4-18-6-9)12-11(13(15,16)17)5-10(14)7-19-12/h5,7,9,18H,2-4,6,8H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 352.20 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).