Basic information
- CAS
742051-67-8- Standard SMILES
O=C1COc2ccc(CC3CCNCC3)cc2N1- InChIKey
XFJHVVOIFKVWBM-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- 6-(Piperidin-4-ylmethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
- IUPAC
- 6-(piperidin-4-ylmethyl)-4H-1,4-benzoxazin-3-one
- English name
- 2H-1,4-Benzoxazin-3(4H)-one, 6-(4-piperidinylMethyl)-
- Molecular formula
- C14H18N2O2
- Molecular weight
- 246.3
Names & synonyms
6-(Piperidin-4-ylmethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one742051-67-86-(piperidin-4-ylmethyl)-4H-1,4-benzoxazin-3-oneSCHEMBL4186254DTXSID30624834XFJHVVOIFKVWBM-UHFFFAOYSA-NDB-3332746-(Piperidin-4-ylmethyl)-2H-1,4-benzoxazin-3(4H)-one6-[(Piperidin-4-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one2H-1,4-Benzoxazin-3(4H)-one, 6-(4-piperidinylMethyl)-
Database identifiers
- CAS
742051-67-8- PubChem CID
- 22326652
- DTXSID
DTXSID30624834
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 455.4 · 455.4±45.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.73 · 12.73±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
1 records
Compound notes
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