Basic information
- CAS
393855-91-9- Standard SMILES
OC1CCN(c2ncncc2C#Cc2ccccc2)CC1- InChIKey
QVKAOEWUZALXNQ-UHFFFAOYSA-N- Molecular formula
- C17H17N3O
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.13716217
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-[5-(phenylethynyl)-4-pyrimidinyl]-
- IUPAC
- 1-[5-(2-phenylethynyl)pyrimidin-4-yl]piperidin-4-ol
Names & synonyms
393855-91-91-(5-(Phenylethynyl)pyrimidin-4-yl)piperidin-4-ol1-[5-(Phenylethynyl)pyrimidin-4-yl]piperidin-4-ol4-Piperidinol, 1-[5-(phenylethynyl)-4-pyrimidinyl]-SCHEMBL3250305DTXSID60431891
Database identifiers
- CAS
393855-91-9- PubChem CID
- 9856903
- DTXSID
DTXSID60431891
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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