Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCNCC1.O- InChIKey
MMYARFQYMVRASI-UHFFFAOYSA-N- Molecular formula
- C18H29N3O5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.21072103
Names & identifiers
- Preferred name
- Tert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(piperidin-4-yl)carbamate monohydrate
- IUPAC
- tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-piperidin-4-ylcarbamate;hydrate
Names & synonyms
MMYARFQYMVRASI-UHFFFAOYSA-Ntert-butyl ((2,3-dihydro-(1,4)dioxino(2,3-c)pyridin-7-yl)methyl)(piperidin-4-yl)carbamate monohydratetert-butyl (2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)(piperidin-4-yl)carbamate monohydrate
Database identifiers
- PubChem CID
- 86646182
Properties
Computed structural properties
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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