Benzoxazole, 2-(1-piperidinyl)-
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Basic information
- CAS
2851-09-4- Standard SMILES
c1ccc2oc(N3CCCCC3)nc2c1- InChIKey
ZSBQPJZYLMTSLO-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- Benzoxazole, 2-(1-piperidinyl)-
- IUPAC
- 2-piperidin-1-yl-1,3-benzoxazole
- English name
- 2-piperidinobenzoxazole
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
Benzoxazole, 2-(1-piperidinyl)-2851-09-4Benzoxazole, 2-piperidino-DTXSID2062668EINECS 220-660-5RefChem:566384DTXCID80378312-Piperidinobenzoxazole2-(PIPERIDIN-1-YL)-1,3-BENZOXAZOLE2-piperidin-1-yl-1,3-benzoxazole2-(piperidin-1-yl)benzo[d]oxazole2-(1-Piperidinyl)benzoxazole
Show more names
2-(Piperidin-1-yl)benzoxazole
RG64ANK4BD2-Piperidino-1,3-benzoxazoleCHEMBL102655SCHEMBL1713373SCHEMBL1981175SCHEMBL183441062-(1-piperidinyl)-1,3-benzoxazoleAKOS000671223
Database identifiers
- CAS
2851-09-4- PubChem CID
- 76106
- DTXSID
DTXSID2062668- ChEMBL
CHEMBL102655- UNII
- RG64ANK4BD
- EC Number
- 220-660-5
- Nikkaji
- J306.779C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 70 · 70-71 °C
- Boiling point
- 323.9 · 323.9±25.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.10(Predicted)
- FDA UNII
- 64 ANK4BD · RG64ANK4BD
- EPA Substance Registry System
- 2 · Benzoxazole, 2-(1-piperidinyl)- (2851-09-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazole, 2-(1-piperidinyl)-: INACTIVE
Related reactions
1 records
Compound notes
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