4-(Bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester

HCID 59342425
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(=C(Br)C#N)CC1
InChIKey
MZKSDTRMSYSLLM-UHFFFAOYSA-N
Molecular formula
C12H17BrN2O2
Average molar mass
301.18 g/mol

Names & identifiers

Preferred name
4-(Bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[bromo(cyano)methylidene]piperidine-1-carboxylate

Names & synonyms

SCHEMBL3559112MZKSDTRMSYSLLM-UHFFFAOYSA-NDB-433481tert-butyl 4-(bromo(cyano)methylene)piperidine-1-carboxylate4-(bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester878591-93-6

Database identifiers

PubChem CID
59342425

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
53.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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