methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate

C15H19F3N2O2 — CID 162444918

IUPACmethyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2(C)CCN(CC(F)(F)F)CC2)nc1
InChIInChI=1S/C15H19F3N2O2/c1-14(5-7-20(8-6-14)10-15(16,17)18)12-4-3-11(9-19-12)13(21)22-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDVMXTHDJTXCHCM-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.78
Rot. Bonds3

About methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate

methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate (PubChem CID 162444918) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate
PubChem CID162444918
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Namemethyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2(C)CCN(CC(F)(F)F)CC2)nc1
InChIInChI=1S/C15H19F3N2O2/c1-14(5-7-20(8-6-14)10-15(16,17)18)12-4-3-11(9-19-12)13(21)22-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDVMXTHDJTXCHCM-UHFFFAOYSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate (CID 162444918) is methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate is COC(=O)c1ccc(C2(C)CCN(CC(F)(F)F)CC2)nc1.
What is the InChIKey of methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate?
The InChIKey is DVMXTHDJTXCHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-14(5-7-20(8-6-14)10-15(16,17)18)12-4-3-11(9-19-12)13(21)22-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate?
methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 162444918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).