N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine

C15H22F3N3O — CID 67439774

IUPACN-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCNc1ccc(C(F)(F)F)nc1N1CCC(OC(C)C)CC1
InChIInChI=1S/C15H22F3N3O/c1-10(2)22-11-6-8-21(9-7-11)14-12(19-3)4-5-13(20-14)15(16,17)18/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyAOOOPLOIDARKTR-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.54
Rot. Bonds4

About N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine

N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 67439774) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID67439774
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC NameN-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCNc1ccc(C(F)(F)F)nc1N1CCC(OC(C)C)CC1
InChIInChI=1S/C15H22F3N3O/c1-10(2)22-11-6-8-21(9-7-11)14-12(19-3)4-5-13(20-14)15(16,17)18/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyAOOOPLOIDARKTR-UHFFFAOYSA-N
XLogP3.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 67439774) is N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine is CNc1ccc(C(F)(F)F)nc1N1CCC(OC(C)C)CC1.
What is the InChIKey of N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is AOOOPLOIDARKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-10(2)22-11-6-8-21(9-7-11)14-12(19-3)4-5-13(20-14)15(16,17)18/h4-5,10-11,19H,6-9H2,1-3H3.
What are the key properties of N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 317.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67439774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).