3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine

C14H18F2N2 — CID 123795289

IUPAC3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine
SMILESC=C(c1ncccc1C(C)(F)F)N1CCCCC1
InChIInChI=1S/C14H18F2N2/c1-11(18-9-4-3-5-10-18)13-12(14(2,15)16)7-6-8-17-13/h6-8H,1,3-5,9-10H2,2H3
InChIKeyUBVGOSLXHGKQFQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.65
Rot. Bonds3

About 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine

3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine (PubChem CID 123795289) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine
PubChem CID123795289
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine
SMILESC=C(c1ncccc1C(C)(F)F)N1CCCCC1
InChIInChI=1S/C14H18F2N2/c1-11(18-9-4-3-5-10-18)13-12(14(2,15)16)7-6-8-17-13/h6-8H,1,3-5,9-10H2,2H3
InChIKeyUBVGOSLXHGKQFQ-UHFFFAOYSA-N
XLogP3.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.65
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)-2-(1-piperidin-1-ylethenyl)pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine (CID 123795289) is 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine is C=C(c1ncccc1C(C)(F)F)N1CCCCC1.
What is the InChIKey of 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine?
The InChIKey is UBVGOSLXHGKQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-11(18-9-4-3-5-10-18)13-12(14(2,15)16)7-6-8-17-13/h6-8H,1,3-5,9-10H2,2H3.
What are the key properties of 3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine?
3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine has a molecular weight of 252.31 g/mol, XLogP of 3.65, 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)-2-(1-piperidin-1-ylethenyl)pyridine is sourced from PubChem (CID 123795289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).