Basic information
- Standard SMILES
CCCC(C(=O)OC)c1c(C)nc(N2CCCCC2)nc1Cl- InChIKey
BZQSKOMIFXJXSE-UHFFFAOYSA-N- Molecular formula
- C16H24ClN3O2
- Average molar mass
- 325.83 g/mol
- Monoisotopic mass
- 325.1557047
Names & identifiers
- Preferred name
- Methyl 2-(4-chloro-6-methyl-2-(piperidin-1-yl)pyrimidin-5-yl)pentanoate
- IUPAC
- methyl 2-(4-chloro-6-methyl-2-piperidin-1-ylpyrimidin-5-yl)pentanoate
Names & synonyms
SCHEMBL1227124BZQSKOMIFXJXSE-UHFFFAOYSA-NMethyl 2-(4-chloro-6-methyl-2-(piperidin-1-yl)pyrimidin-5-yl)pentanoate
Database identifiers
- PubChem CID
- 86665653
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
15 records
Compound notes
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