Ethyl 4-[4-[4-(7-methoxyheptyloxy)-3,5-dimethylphenyl]piperazin-1-yl]benzoate

HCID 22494740
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Basic information

Standard SMILES
CCOC(=O)c1ccc(N2CCN(c3cc(C)c(OCCCCCCCOC)c(C)c3)CC2)cc1
InChIKey
RRUBERISBCEKNX-UHFFFAOYSA-N
Molecular formula
C29H42N2O4
Average molar mass
482.7 g/mol

Names & identifiers

Preferred name
Ethyl 4-[4-[4-(7-methoxyheptyloxy)-3,5-dimethylphenyl]piperazin-1-yl]benzoate
IUPAC
ethyl 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethylphenyl]piperazin-1-yl]benzoate

Names & synonyms

SCHEMBL6132804RRUBERISBCEKNX-UHFFFAOYSA-Nethyl 4-[4-[4-(7-methoxyheptyloxy)-3,5-dimethylphenyl]piperazin-1-yl]benzoate

Database identifiers

PubChem CID
22494740

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
51.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
14
Heavy atoms
35

Related reactions

2 records
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Compound notes

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