2-(4-Piperidylmethoxy)benzoxazole
Basic information
- CAS
1420942-13-7- Standard SMILES
c1ccc2oc(OCC3CCNCC3)nc2c1- InChIKey
VUMPDJMGXIGCDN-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
Names & identifiers
- Preferred name
- 2-(4-Piperidylmethoxy)benzoxazole
- IUPAC
- 2-(piperidin-4-ylmethoxy)-1,3-benzoxazole
- English name
- 2-(piperidin-4-ylmethoxy)-1,3-benzoxazole
- Molecular formula
- C13H16N2O2
- Molecular weight
- 232.28
Names & synonyms
2-(4-Piperidylmethoxy)benzoxazole1420942-13-72-(Piperidin-4-ylmethoxy)benzo[d]oxazoleMFCD17058402AC8514AKOS0116333082-(4-piperidylmethoxy)-1,3-benzoxazoleSY2651202-(piperidin-4-ylmethoxy)-1,3-benzoxazoleCS-0334161F731539Benzoxazole, 2-(4-piperidinylmethoxy)-
Database identifiers
- CAS
1420942-13-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 351.9 · 351.9±34.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.10(Predicted)
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