Tert-butyl 4-(6-{2-[4-(hydroxymethyl)phenyl]vinyl}pyridin-3-yl)piperazine-1-carboxylate

HCID 67030232
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(C=Cc3ccc(CO)cc3)nc2)CC1
InChIKey
DKIXSUXAZNLYOJ-UHFFFAOYSA-N
Molecular formula
C23H29N3O3
Average molar mass
395.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(6-{2-[4-(hydroxymethyl)phenyl]vinyl}pyridin-3-yl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[6-[2-[4-(hydroxymethyl)phenyl]ethenyl]-3-pyridinyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL1432966DKIXSUXAZNLYOJ-UHFFFAOYSA-Ntert-butyl 4-(6-{2-[4-(hydroxymethyl)phenyl]vinyl}pyridin-3-yl)piperazine-1-carboxylate

Database identifiers

PubChem CID
67030232

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
65.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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