2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine

C16H24N2O3 — CID 91830622

IUPAC2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine
SMILESc1ccc(COC2CCN(CC3COCCO3)CC2)nc1
InChIInChI=1S/C16H24N2O3/c1-2-6-17-14(3-1)12-21-15-4-7-18(8-5-15)11-16-13-19-9-10-20-16/h1-3,6,15-16H,4-5,7-13H2
InChIKeyMEYQQQPFPQEDIR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.48
Rot. Bonds5

About 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine

2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine (PubChem CID 91830622) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine
PubChem CID91830622
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine
SMILESc1ccc(COC2CCN(CC3COCCO3)CC2)nc1
InChIInChI=1S/C16H24N2O3/c1-2-6-17-14(3-1)12-21-15-4-7-18(8-5-15)11-16-13-19-9-10-20-16/h1-3,6,15-16H,4-5,7-13H2
InChIKeyMEYQQQPFPQEDIR-UHFFFAOYSA-N
XLogP1.48
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
2-(1,4-dioxan-2-ylmethyl)-1,3-dihydroisoindole
CID 166602231
3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 135104344
5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42101463
1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 99931473
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 124750437
2-(oxan-4-yl)-8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131648833

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine (CID 91830622) is 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine is c1ccc(COC2CCN(CC3COCCO3)CC2)nc1.
What is the InChIKey of 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is MEYQQQPFPQEDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-6-17-14(3-1)12-21-15-4-7-18(8-5-15)11-16-13-19-9-10-20-16/h1-3,6,15-16H,4-5,7-13H2.
What are the key properties of 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine?
2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 292.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 91830622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).