Basic information
- CAS
878130-38-2- Standard SMILES
COc1ccc(C2(CC#N)CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
MXFQYWIJCIBBEW-UHFFFAOYSA-N- Molecular formula
- C19H26N2O3
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1943427
Names & identifiers
- Preferred name
- Tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
- English name
- tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
- Molecular formula
- C19H26N2O3
- Molecular weight
- 330.42
Names & synonyms
Tert-butyl 4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate878130-38-2DTXSID30469646DB-371957Tert-butyl4-(cyanomethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-(cyanomethyl)-4-(4-methoxyphenyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
878130-38-2- PubChem CID
- 11624084
- DTXSID
DTXSID30469646
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 473 · 473.0±40.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.26 · -2.26±0.40(Predicted)
Chemistry & industry
Suppliers3 total
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海伯韵医药科技有限公司13817873692 · [email protected]
上海相辉医药科技有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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