3-[1-(2,3-Dihydrobenzo[1,4]dioxin-2-ylmethyl)piperidin-3-yl]phenol

HCID 25174348

Notes Reactions

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Basic information

Standard SMILES: Oc1cccc(C2CCCN(CC3COc4ccccc4O3)C2)c1
InChIKey: FOESNAGBEJURCI-UHFFFAOYSA-N
Molecular formula: C20H23NO3
Average molar mass: 325.4 g/mol
Monoisotopic mass: 325.1677936

Names & identifiers

Preferred name: 3-[1-(2,3-Dihydrobenzo[1,4]dioxin-2-ylmethyl)piperidin-3-yl]phenol
IUPAC: 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]phenol

Names & synonyms

SCHEMBL567208SCHEMBL30495455FOESNAGBEJURCI-UHFFFAOYSA-N3-[1-(2,3-Dihydrobenzo[1,4]dioxin-2-ylmethyl)piperidin-3-yl]phenol

Database identifiers

PubChem CID: 25174348

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 404

Related reactions

9 records

New reaction record

HRID 453740As productuspto-grants-2013_07

HRID 680494As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 694751As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 946451As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1119978As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1130562As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2128707As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2365946As productuspto-grants-2014_04

Compound notes

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