(R)-2,6-Difluoro-4-propoxybenzyl 2-methylpiperazine-1-carboxylate fumarate

HCID 21021908
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Basic information

Standard SMILES
CCCOc1cc(F)c(COC(=O)N2CCNC[C@H]2C)c(F)c1.O=C(O)/C=C/C(=O)O
InChIKey
YWBUDGWSMQZANW-KGLGULAYSA-N
Molecular formula
C20H26F2N2O7
Average molar mass
444.4 g/mol

Names & identifiers

Preferred name
(R)-2,6-Difluoro-4-propoxybenzyl 2-methylpiperazine-1-carboxylate fumarate
IUPAC
(E)-but-2-enedioic acid;(2,6-difluoro-4-propoxyphenyl)methyl (2R)-2-methylpiperazine-1-carboxylate

Names & synonyms

SCHEMBL4678709YWBUDGWSMQZANW-KGLGULAYSA-N(R)-2,6-Difluoro-4-propoxybenzyl 2-methylpiperazine-1-carboxylate fumarate

Database identifiers

PubChem CID
21021908

Properties

Computed structural properties

Topological polar surface area
125 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
31

Related reactions

1 records
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Linked notes

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