3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine

C15H23F3N2 — CID 174264440

IUPAC3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine
SMILESCN1C=C(CN2CCC(C)(F)CC2)C=C(C(C)(F)F)C1
InChIInChI=1S/C15H23F3N2/c1-14(16)4-6-20(7-5-14)10-12-8-13(15(2,17)18)11-19(3)9-12/h8-9H,4-7,10-11H2,1-3H3
InChIKeyNUKSXRITZCYQKI-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.22
Rot. Bonds3

About 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine

3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine (PubChem CID 174264440) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine
PubChem CID174264440
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine
SMILESCN1C=C(CN2CCC(C)(F)CC2)C=C(C(C)(F)F)C1
InChIInChI=1S/C15H23F3N2/c1-14(16)4-6-20(7-5-14)10-12-8-13(15(2,17)18)11-19(3)9-12/h8-9H,4-7,10-11H2,1-3H3
InChIKeyNUKSXRITZCYQKI-UHFFFAOYSA-N
XLogP3.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine (CID 174264440) is 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine is CN1C=C(CN2CCC(C)(F)CC2)C=C(C(C)(F)F)C1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine?
The InChIKey is NUKSXRITZCYQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-14(16)4-6-20(7-5-14)10-12-8-13(15(2,17)18)11-19(3)9-12/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine?
3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine has a molecular weight of 288.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1-methyl-2H-pyridine is sourced from PubChem (CID 174264440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).