2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine

C17H18F2N2O2 — CID 68594813

IUPAC2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
SMILESFc1ccc(Oc2ncccc2OCC2CCCNC2)cc1F
InChIInChI=1S/C17H18F2N2O2/c18-14-6-5-13(9-15(14)19)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2
InChIKeyKKLVVKHOSDTVOF-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.53
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine

2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine (PubChem CID 68594813) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
PubChem CID68594813
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
SMILESFc1ccc(Oc2ncccc2OCC2CCCNC2)cc1F
InChIInChI=1S/C17H18F2N2O2/c18-14-6-5-13(9-15(14)19)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2
InChIKeyKKLVVKHOSDTVOF-UHFFFAOYSA-N
XLogP3.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595188
2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68598179
2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68598055
2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595656
(E)-but-2-enedioic acid;2-(4-fluorophenoxy)-3-[[(3R)-piperidin-3-yl]methoxy]pyridine
CID 158102057
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
The IUPAC name of 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine (CID 68594813) is 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
The canonical SMILES for 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine is Fc1ccc(Oc2ncccc2OCC2CCCNC2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
The InChIKey is KKLVVKHOSDTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-14-6-5-13(9-15(14)19)23-17-16(4-2-8-21-17)22-11-12-3-1-7-20-10-12/h2,4-6,8-9,12,20H,1,3,7,10-11H2.
What are the key properties of 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine has a molecular weight of 320.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine is sourced from PubChem (CID 68594813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).