t-Butyl 4-((3-methylbenzo[b]thiophen-2-yl)methyl)piperazine-1-carboxylate

HCID 68415560

Notes Reactions

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Basic information

CAS: 1065586-32-4
Standard SMILES: Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)sc2ccccc12
InChIKey: VCVNUGMXDXHUIS-UHFFFAOYSA-N
Molecular formula: C19H26N2O2S
Average molar mass: 346.5 g/mol
Monoisotopic mass: 346.17149907

Names & identifiers

Preferred name: t-Butyl 4-((3-methylbenzo[b]thiophen-2-yl)methyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL2848886VCVNUGMXDXHUIS-UHFFFAOYSA-NDTXSID501134275t-butyl 4-((3-methylbenzo[b]thiophen-2-yl)methyl)piperazine-1-carboxylate1,1-Dimethylethyl 4-[(3-methylbenzo[b]thien-2-yl)methyl]-1-piperazinecarboxylatetert-butyl 4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxylate1065586-32-4

Database identifiers

CAS: 1065586-32-4
PubChem CID: 68415560
DTXSID: DTXSID501134275

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 61 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 443

Related reactions

5 records

New reaction record

HRID 313416As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 639462As productuspto-grants-2010_04

HRID 639463As reactantuspto-grants-2010_04

HRID 2239788As productuspto-grants-2010_05

HRID 2239789As reactantuspto-grants-2010_05

Compound notes

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