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Ethyl 4-(4-azidopiperidin-1-yl)benzoate

HCID 86662016
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc(N2CCC(N=[N+]=[N-])CC2)cc1
InChIKey
HAIMJHNGXFWOMD-UHFFFAOYSA-N
Molecular formula
C14H18N4O2
Average molar mass
274.32 g/mol
Monoisotopic mass
274.14297583

Names & identifiers

Preferred name
Ethyl 4-(4-azidopiperidin-1-yl)benzoate
IUPAC
ethyl 4-(4-azidopiperidin-1-yl)benzoate

Names & synonyms

SCHEMBL27849293HAIMJHNGXFWOMD-UHFFFAOYSA-Nethyl 4-(4-azidopiperidin-1-yl)benzoate

Database identifiers

PubChem CID
86662016

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
365

Related reactions

2 records
New reaction record
HRID 591606 reaction equation
HRID 591606As productuspto-grants-2016_01
HRID 591607 reaction equation
HRID 591607As reactantuspto-grants-2016_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes