3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine

C17H18F2N2 — CID 46044518

IUPAC3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine
SMILESFc1cccc(-c2cncc(CN3CCCCC3)c2)c1F
InChIInChI=1S/C17H18F2N2/c18-16-6-4-5-15(17(16)19)14-9-13(10-20-11-14)12-21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8,12H2
InChIKeyCVEDLQUSZYCTFX-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.01
Rot. Bonds3

About 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine

3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine (PubChem CID 46044518) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine
PubChem CID46044518
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine
SMILESFc1cccc(-c2cncc(CN3CCCCC3)c2)c1F
InChIInChI=1S/C17H18F2N2/c18-16-6-4-5-15(17(16)19)14-9-13(10-20-11-14)12-21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8,12H2
InChIKeyCVEDLQUSZYCTFX-UHFFFAOYSA-N
XLogP4.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine?
The IUPAC name of 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine (CID 46044518) is 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine?
The canonical SMILES for 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine is Fc1cccc(-c2cncc(CN3CCCCC3)c2)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine?
The InChIKey is CVEDLQUSZYCTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-16-6-4-5-15(17(16)19)14-9-13(10-20-11-14)12-21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8,12H2.
What are the key properties of 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine?
3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine has a molecular weight of 288.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-5-(piperidin-1-ylmethyl)pyridine is sourced from PubChem (CID 46044518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).