Ethyl 4-[4-(cis-4-cyclohexylcyclohexyl)piperazin-1-yl]benzoate

HCID 22713232
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Basic information

Standard SMILES
CCOC(=O)c1ccc(N2CCN(C3CCC(C4CCCCC4)CC3)CC2)cc1
InChIKey
MXCFXRRDAJPPAQ-UHFFFAOYSA-N
Molecular formula
C25H38N2O2
Average molar mass
398.6 g/mol
Monoisotopic mass
398.29332846

Names & identifiers

Preferred name
Ethyl 4-[4-(cis-4-cyclohexylcyclohexyl)piperazin-1-yl]benzoate
IUPAC
ethyl 4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]benzoate

Names & synonyms

SCHEMBL6538433SCHEMBL6538435SCHEMBL6538636MXCFXRRDAJPPAQ-DKXQDJALSA-Nethyl 4-[4-(cis-4-cyclohexylcyclohexyl)piperazin-1-yl]benzoate

Database identifiers

PubChem CID
22713232

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
New reaction record

Linked notes

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