3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine

C17H18F2N2O — CID 45268018

IUPAC3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESFc1cccc(OC(c2cccnc2)C2CCNCC2)c1F
InChIInChI=1S/C17H18F2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
InChIKeyXLDPRVVEMAUFLK-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.48
Rot. Bonds4

About 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine

3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45268018) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45268018
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESFc1cccc(OC(c2cccnc2)C2CCNCC2)c1F
InChIInChI=1S/C17H18F2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
InChIKeyXLDPRVVEMAUFLK-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine (CID 45268018) is 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine is Fc1cccc(OC(c2cccnc2)C2CCNCC2)c1F.
What is the InChIKey of 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is XLDPRVVEMAUFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2.
What are the key properties of 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 304.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45268018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).