3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine

C14H20F3N3 — CID 103182448

IUPAC3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine
SMILESCc1cnc(CN2CCC(C(F)(F)F)CC2)c(C)c1N
InChIInChI=1S/C14H20F3N3/c1-9-7-19-12(10(2)13(9)18)8-20-5-3-11(4-6-20)14(15,16)17/h7,11H,3-6,8H2,1-2H3,(H2,18,19)
InChIKeyAKIBFXALCBICBN-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.05
Rot. Bonds2

About 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine

3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine (PubChem CID 103182448) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine
PubChem CID103182448
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine
SMILESCc1cnc(CN2CCC(C(F)(F)F)CC2)c(C)c1N
InChIInChI=1S/C14H20F3N3/c1-9-7-19-12(10(2)13(9)18)8-20-5-3-11(4-6-20)14(15,16)17/h7,11H,3-6,8H2,1-2H3,(H2,18,19)
InChIKeyAKIBFXALCBICBN-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine (CID 103182448) is 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine is Cc1cnc(CN2CCC(C(F)(F)F)CC2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine?
The InChIKey is AKIBFXALCBICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-7-19-12(10(2)13(9)18)8-20-5-3-11(4-6-20)14(15,16)17/h7,11H,3-6,8H2,1-2H3,(H2,18,19).
What are the key properties of 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine?
3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 103182448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).