1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine

C13H19F3N2 — CID 162576321

IUPAC1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine
SMILESCC1CCN(C2C=CC(C(F)(F)F)=CN2C)CC1
InChIInChI=1S/C13H19F3N2/c1-10-5-7-18(8-6-10)12-4-3-11(9-17(12)2)13(14,15)16/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyDWHDVYUJTMDCTL-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.99
Rot. Bonds1

About 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine

1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine (PubChem CID 162576321) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine
PubChem CID162576321
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine
SMILESCC1CCN(C2C=CC(C(F)(F)F)=CN2C)CC1
InChIInChI=1S/C13H19F3N2/c1-10-5-7-18(8-6-10)12-4-3-11(9-17(12)2)13(14,15)16/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyDWHDVYUJTMDCTL-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine (CID 162576321) is 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine is CC1CCN(C2C=CC(C(F)(F)F)=CN2C)CC1.
What is the InChIKey of 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine?
The InChIKey is DWHDVYUJTMDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-10-5-7-18(8-6-10)12-4-3-11(9-17(12)2)13(14,15)16/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine?
1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine has a molecular weight of 260.30 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 162576321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).