2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H17F3N4 — CID 79875877

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1CN
InChIInChI=1S/C14H17F3N4/c1-9-3-2-6-21(11(9)8-19)13-10(7-18)4-5-12(20-13)14(15,16)17/h4-5,9,11H,2-3,6,8,19H2,1H3
InChIKeyUMTBGLWSHFPVHO-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.54
Rot. Bonds2

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79875877) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79875877
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1CN
InChIInChI=1S/C14H17F3N4/c1-9-3-2-6-21(11(9)8-19)13-10(7-18)4-5-12(20-13)14(15,16)17/h4-5,9,11H,2-3,6,8,19H2,1H3
InChIKeyUMTBGLWSHFPVHO-UHFFFAOYSA-N
XLogP2.54
TPSA65.94 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79875877) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UMTBGLWSHFPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-9-3-2-6-21(11(9)8-19)13-10(7-18)4-5-12(20-13)14(15,16)17/h4-5,9,11H,2-3,6,8,19H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79875877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).