N-[5-amino-4-methoxy-2-(4-methyl-1-piperazinyl)phenyl]carbamic acid 1,1-dimethylethyl ester

HCID 89182828
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Basic information

Standard SMILES
COc1cc(N2CCN(C)CC2)c(NC(=O)OC(C)(C)C)cc1N
InChIKey
BCCOEUFNVGSWHK-UHFFFAOYSA-N
Molecular formula
C17H28N4O3
Average molar mass
336.4 g/mol

Names & identifiers

Preferred name
N-[5-amino-4-methoxy-2-(4-methyl-1-piperazinyl)phenyl]carbamic acid 1,1-dimethylethyl ester
IUPAC
tert-butyl N-[5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]carbamate

Names & synonyms

SCHEMBL13832429DB-1595391407520-23-3N-[5-amino-4-methoxy-2-(4-methyl-1-piperazinyl)phenyl]carbamic acid 1,1-dimethylethyl ester

Database identifiers

PubChem CID
89182828

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
80.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

Related reactions

1 records
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Linked notes

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