3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C20H24N2O3 — CID 77136917

IUPAC3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOC1CCCN(Cc2ccc(C3COc4cccnc4O3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-23-17-4-3-11-22(13-17)12-15-6-8-16(9-7-15)19-14-24-18-5-2-10-21-20(18)25-19/h2,5-10,17,19H,3-4,11-14H2,1H3
InChIKeyNUHOYAGYYOGTKL-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.20
Rot. Bonds4

About 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 77136917) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID77136917
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOC1CCCN(Cc2ccc(C3COc4cccnc4O3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-23-17-4-3-11-22(13-17)12-15-6-8-16(9-7-15)19-14-24-18-5-2-10-21-20(18)25-19/h2,5-10,17,19H,3-4,11-14H2,1H3
InChIKeyNUHOYAGYYOGTKL-UHFFFAOYSA-N
XLogP3.20
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Related Compounds

3-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 129107590
4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide
CID 78164220
1-[2-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 71737477
4-[1-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperidin-4-yl]cyclohexane-1-carboxylic acid
CID 78164760
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 66547109
1-[4-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]-4-hydroxy-4-methylpentan-1-one
CID 157280221
N-[(1R,5R)-8-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 71735245
(8aR)-7-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]benzaldehyde;methane
CID 157277766
[(1S,5R)-3-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 129094545
7-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 71736855
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 77136917) is 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is COC1CCCN(Cc2ccc(C3COc4cccnc4O3)cc2)C1.
What is the InChIKey of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is NUHOYAGYYOGTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-17-4-3-11-22(13-17)12-15-6-8-16(9-7-15)19-14-24-18-5-2-10-21-20(18)25-19/h2,5-10,17,19H,3-4,11-14H2,1H3.
What are the key properties of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 340.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 77136917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).