Basic information
- Standard SMILES
Cc1cc(C)nc(N2CCC(NCC(O)COc3ccc(O)cc3)CC2)n1- InChIKey
KCUKXCZIYZBGMW-UHFFFAOYSA-N- Molecular formula
- C20H28N4O3
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.21614077
Names & identifiers
- Preferred name
- 4-(3-(1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-ylamino)-2-hydroxypropoxy)phenol
- IUPAC
- 4-[3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]-2-hydroxypropoxy]phenol
Names & synonyms
SCHEMBL4722807KCUKXCZIYZBGMW-UHFFFAOYSA-N4-(3-(1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-ylamino)-2-hydroxypropoxy)phenol
Database identifiers
- PubChem CID
- 24937138
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 415
Related reactions
1 records
Compound notes
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