4-(3,4-dihydro-6,7-dimethoxy-1-methyl-1H-2-benzopyran-1-yl)piperidine

HCID 20087946
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Basic information

Standard SMILES
COc1cc2c(cc1OC)C(C)(C1CCNCC1)OCC2
InChIKey
PGQYSMCXVYFWJB-UHFFFAOYSA-N
Molecular formula
C17H25NO3
Average molar mass
291.4 g/mol
Monoisotopic mass
291.18344366

Names & identifiers

Preferred name
4-(3,4-dihydro-6,7-dimethoxy-1-methyl-1H-2-benzopyran-1-yl)piperidine
IUPAC
4-(6,7-dimethoxy-1-methyl-3,4-dihydroisochromen-1-yl)piperidine

Names & synonyms

SCHEMBL7289989PGQYSMCXVYFWJB-UHFFFAOYSA-N4-(3,4-dihydro-6,7-dimethoxy-1-methyl-1H-2-benzopyran-1-yl)piperidine

Database identifiers

PubChem CID
20087946

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
39.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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