2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine

C19H21F3N2 — CID 66509332

IUPAC2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCCNC2)n1
InChIInChI=1S/C19H21F3N2/c1-13-8-15(11-18(24-13)16-5-3-7-23-12-16)9-14-4-2-6-17(10-14)19(20,21)22/h2,4,6,8,10-11,16,23H,3,5,7,9,12H2,1H3
InChIKeyZIFNQLGQOFKWFN-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.47
Rot. Bonds3

About 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine

2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 66509332) has the molecular formula C19H21F3N2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID66509332
Molecular FormulaC19H21F3N2
Molecular Weight334.38 g/mol
Exact Mass334.17
IUPAC Name2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine
SMILESCc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCCNC2)n1
InChIInChI=1S/C19H21F3N2/c1-13-8-15(11-18(24-13)16-5-3-7-23-12-16)9-14-4-2-6-17(10-14)19(20,21)22/h2,4,6,8,10-11,16,23H,3,5,7,9,12H2,1H3
InChIKeyZIFNQLGQOFKWFN-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine (CID 66509332) is 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine is Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCCNC2)n1.
What is the InChIKey of 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is ZIFNQLGQOFKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c1-13-8-15(11-18(24-13)16-5-3-7-23-12-16)9-14-4-2-6-17(10-14)19(20,21)22/h2,4,6,8,10-11,16,23H,3,5,7,9,12H2,1H3.
What are the key properties of 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 334.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 66509332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).