2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine

C18H22N2O2 — CID 68595656

IUPAC2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
SMILESCc1cccc(Oc2ncccc2OCC2CCCNC2)c1
InChIInChI=1S/C18H22N2O2/c1-14-5-2-7-16(11-14)22-18-17(8-4-10-20-18)21-13-15-6-3-9-19-12-15/h2,4-5,7-8,10-11,15,19H,3,6,9,12-13H2,1H3
InChIKeyZBRWDSHOMHZMDW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine

2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine (PubChem CID 68595656) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
PubChem CID68595656
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
SMILESCc1cccc(Oc2ncccc2OCC2CCCNC2)c1
InChIInChI=1S/C18H22N2O2/c1-14-5-2-7-16(11-14)22-18-17(8-4-10-20-18)21-13-15-6-3-9-19-12-15/h2,4-5,7-8,10-11,15,19H,3,6,9,12-13H2,1H3
InChIKeyZBRWDSHOMHZMDW-UHFFFAOYSA-N
XLogP3.56
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68594813
2-(4-chlorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68598055
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
3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
(E)-but-2-enedioic acid;2-(4-fluorophenoxy)-3-[[(3R)-piperidin-3-yl]methoxy]pyridine
CID 158102057
6-methyl-2-(4-methylphenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776104
(E)-but-2-enedioic acid;3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
CID 158162824
8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
The IUPAC name of 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine (CID 68595656) is 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine.
What is the SMILES notation for 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
The canonical SMILES for 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine is Cc1cccc(Oc2ncccc2OCC2CCCNC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
The InChIKey is ZBRWDSHOMHZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-5-2-7-16(11-14)22-18-17(8-4-10-20-18)21-13-15-6-3-9-19-12-15/h2,4-5,7-8,10-11,15,19H,3,6,9,12-13H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine?
2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine has a molecular weight of 298.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine is sourced from PubChem (CID 68595656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).