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1-Piperazin-1-yloctadec-9-en-1-one (HCID 54115441)|Huagongshe
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Compound
1-Piperazin-1-yloctadec-9-en-1-one
HCID
54115441
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Basic information
Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)N1CCNCC1
InChIKey
NKABJBBPNOPELR-UHFFFAOYSA-N
Molecular formula
C22H42N2O
Average molar mass
350.6 g/mol
Names & identifiers
Preferred name
1-Piperazin-1-yloctadec-9-en-1-one
IUPAC
1-piperazin-1-yloctadec-9-en-1-one
Names & synonyms
SCHEMBL9204409
Database identifiers
PubChem CID
54115441
Properties
Computed structural properties
XLogP
6.5
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
15
Heavy atoms
25
Formal charge
0
Complexity
335
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
2330819
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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