2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine

C19H26F3N3O3S — CID 58111168

IUPAC2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine
SMILESCS(=O)(=O)N1CC=C(c2ccc(OCC3CCN(CC(F)(F)F)CC3)cn2)CC1
InChIInChI=1S/C19H26F3N3O3S/c1-29(26,27)25-10-6-16(7-11-25)18-3-2-17(12-23-18)28-13-15-4-8-24(9-5-15)14-19(20,21)22/h2-3,6,12,15H,4-5,7-11,13-14H2,1H3
InChIKeyLZFQKQQKUZMLFI-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.78
Rot. Bonds6

About 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine

2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine (PubChem CID 58111168) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine
PubChem CID58111168
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC Name2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine
SMILESCS(=O)(=O)N1CC=C(c2ccc(OCC3CCN(CC(F)(F)F)CC3)cn2)CC1
InChIInChI=1S/C19H26F3N3O3S/c1-29(26,27)25-10-6-16(7-11-25)18-3-2-17(12-23-18)28-13-15-4-8-24(9-5-15)14-19(20,21)22/h2-3,6,12,15H,4-5,7-11,13-14H2,1H3
InChIKeyLZFQKQQKUZMLFI-UHFFFAOYSA-N
XLogP2.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine (CID 58111168) is 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine is CS(=O)(=O)N1CC=C(c2ccc(OCC3CCN(CC(F)(F)F)CC3)cn2)CC1.
What is the InChIKey of 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine?
The InChIKey is LZFQKQQKUZMLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3S/c1-29(26,27)25-10-6-16(7-11-25)18-3-2-17(12-23-18)28-13-15-4-8-24(9-5-15)14-19(20,21)22/h2-3,6,12,15H,4-5,7-11,13-14H2,1H3.
What are the key properties of 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine?
2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine has a molecular weight of 433.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 58111168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).