N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine

C13H18F3N3 — CID 115770250

IUPACN-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1CN(C)CCC1Nc1ncccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3/c1-9-8-19(2)7-5-11(9)18-12-10(13(14,15)16)4-3-6-17-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyAIPIFTMDUNXMRS-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.85
Rot. Bonds2

About N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine

N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 115770250) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID115770250
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1CN(C)CCC1Nc1ncccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3/c1-9-8-19(2)7-5-11(9)18-12-10(13(14,15)16)4-3-6-17-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyAIPIFTMDUNXMRS-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 115770250) is N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine is CC1CN(C)CCC1Nc1ncccc1C(F)(F)F.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AIPIFTMDUNXMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-8-19(2)7-5-11(9)18-12-10(13(14,15)16)4-3-6-17-12/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115770250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).