1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-
Basic information
- CAS
76167-85-6- Standard SMILES
CN(Cc1ccc2c(c1)OCO2)C1CCNC(c2ncccn2)C1- InChIKey
RNNFLJCPJCSFHR-UHFFFAOYSA-N- Molecular formula
- C18H22N4O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.17427596
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5-((N-(2-(2-pyrimidinyl)-4-piperidyl)methylamino)methyl)-
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-pyrimidin-2-ylpiperidin-4-amine
Names & synonyms
5-((N-(2-(2-Pyrimidinyl)-4-piperidyl)methylamino)methyl)-1,3-benzodioxole76167-85-61,3-BENZODIOXOLE, 5-((N-(2-(2-PYRIMIDINYL)-4-PIPERIDYL)METHYLAMINO)METHYL)-RefChem:217870DTXSID30997515N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-methyl-2-(pyrimidin-2-yl)piperidin-4-amine
Database identifiers
- CAS
76167-85-6- PubChem CID
- 53460
- DTXSID
DTXSID30997515- Nikkaji
- J71.482H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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