(S)-N-(7,8-methylenedioxy-2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-[1-(2-methoxyphenyl)piperid-4-yl]methylamine

HCID 9844558
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Basic information

Standard SMILES
COc1ccccc1N1CCC(CNC[C@H]2COc3ccc4c(c3O2)OCO4)CC1
InChIKey
SFMCXGRHYYSPNQ-KRWDZBQOSA-N
Molecular formula
C23H28N2O5
Average molar mass
412.5 g/mol

Names & identifiers

Preferred name
(S)-N-(7,8-methylenedioxy-2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-[1-(2-methoxyphenyl)piperid-4-yl]methylamine
IUPAC
N-[[(8S)-7,8-dihydro-[1,3]dioxolo[4,5-h][1,4]benzodioxin-8-yl]methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine

Names & synonyms

SCHEMBL7679467SFMCXGRHYYSPNQ-KRWDZBQOSA-N(S)-N-(7,8-methylenedioxy-2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-[1-(2-methoxyphenyl)piperid-4-yl]methylamine

Database identifiers

PubChem CID
9844558

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
61.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
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Compound notes

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