2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H17F3N4 — CID 115305660

IUPAC2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNC1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C14H17F3N4/c1-13(19-2)5-7-21(8-6-13)12-10(9-18)3-4-11(20-12)14(15,16)17/h3-4,19H,5-8H2,1-2H3
InChIKeyJVDYGIPINSEPFG-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.55
Rot. Bonds2

About 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 115305660) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID115305660
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNC1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C14H17F3N4/c1-13(19-2)5-7-21(8-6-13)12-10(9-18)3-4-11(20-12)14(15,16)17/h3-4,19H,5-8H2,1-2H3
InChIKeyJVDYGIPINSEPFG-UHFFFAOYSA-N
XLogP2.55
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 115305660) is 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is CNC1(C)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1.
What is the InChIKey of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is JVDYGIPINSEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-13(19-2)5-7-21(8-6-13)12-10(9-18)3-4-11(20-12)14(15,16)17/h3-4,19H,5-8H2,1-2H3.
What are the key properties of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 115305660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).