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4-[4-(2-Aminoethyl)anilino]-N-octyl-1-piperidinecarboxamide

HCID 18173662
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCN)cc2)CC1
InChIKey
DLZVYONTZWUDIP-UHFFFAOYSA-N
Molecular formula
C22H38N4O
Average molar mass
374.6 g/mol

Names & identifiers

Preferred name
4-[4-(2-Aminoethyl)anilino]-N-octyl-1-piperidinecarboxamide
IUPAC
4-[4-(2-aminoethyl)anilino]-N-octylpiperidine-1-carboxamide

Names & synonyms

SCHEMBL7095127DLZVYONTZWUDIP-UHFFFAOYSA-N4-[4-(2-Aminoethyl)anilino]-N-octyl-1-piperidinecarboxamide

Database identifiers

PubChem CID
18173662

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
70.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
11
Heavy atoms
27
Formal charge
0
Complexity
388

Related reactions

13 records
New reaction record
HRID 303003 reaction equation
HRID 303003As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 395997 reaction equation
HRID 395997As reactantuspto-grants-2003_08
HRID 396014 reaction equation
HRID 396014As reactantuspto-grants-2003_08
HRID 396035 reaction equation
HRID 396035As reactantuspto-grants-2003_08
HRID 396038 reaction equation
HRID 396038As reactantuspto-grants-2003_08
HRID 1138499 reaction equation
HRID 1138499As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1281506 reaction equation
HRID 1281506As reactantuspto-grants-2002_09
HRID 1281531 reaction equation
HRID 1281531As reactantuspto-grants-2002_09
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Compound notes

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