3-[4-(Pyrimidin-2-yl)piperazin-1-yl]propane-1,2-diol
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Basic information
- Standard SMILES
OCC(O)CN1CCN(c2ncccn2)CC1- InChIKey
CZSHIUXMFNOFGH-UHFFFAOYSA-N- Molecular formula
- C11H18N4O2
- Average molar mass
- 238.29 g/mol
- Monoisotopic mass
- 238.14297583
Names & identifiers
- Preferred name
- 3-[4-(Pyrimidin-2-yl)piperazin-1-yl]propane-1,2-diol
- IUPAC
- 3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1,2-diol
Names & synonyms
SCHEMBL9492615CZSHIUXMFNOFGH-UHFFFAOYSA-N3-[4-(Pyrimidin-2-yl)piperazin-1-yl]propane-1,2-diol
Database identifiers
- PubChem CID
- 20031999
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
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Related reactions
2 records
Compound notes
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