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

C13H17F3N2 — CID 164642369

IUPAC2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC[C@H](CC(F)(F)F)C2)ccn1
InChIInChI=1S/C13H17F3N2/c1-10-7-12(4-5-17-10)18-6-2-3-11(9-18)8-13(14,15)16/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyDJGXDMVVYSJMAZ-LLVKDONJSA-N
MW258.29 g/mol
LogP3.56
Rot. Bonds2

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

2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine (PubChem CID 164642369) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine
PubChem CID164642369
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC[C@H](CC(F)(F)F)C2)ccn1
InChIInChI=1S/C13H17F3N2/c1-10-7-12(4-5-17-10)18-6-2-3-11(9-18)8-13(14,15)16/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyDJGXDMVVYSJMAZ-LLVKDONJSA-N
XLogP3.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine?
The IUPAC name of 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine (CID 164642369) is 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine is Cc1cc(N2CCC[C@H](CC(F)(F)F)C2)ccn1.
What is the InChIKey of 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine?
The InChIKey is DJGXDMVVYSJMAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-10-7-12(4-5-17-10)18-6-2-3-11(9-18)8-13(14,15)16/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine?
2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine has a molecular weight of 258.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 164642369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).