1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(piperidinomethyl)-, hydrochloride
Basic information
- CAS
96401-68-2- Standard SMILES
Cc1ccc2c(c1)C(=O)C(C[NH+]1CCCCC1)CCO2.[Cl-]- InChIKey
HXVSRHFBERGWGN-UHFFFAOYSA-N- Molecular formula
- C17H24ClNO2
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1495567
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(piperidinomethyl)-, hydrochloride
- IUPAC
- 7-methyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Names & synonyms
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(piperidinomethyl)-, hydrochloride96401-68-23,4-Dihydro-7-methyl-4-(1-piperidinomethyl)-1-benzoxepin-5(2H)-one hydrochloride1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(1-piperidinylmethyl)-, hydrochlorideRefChem:2278397-methyl-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Database identifiers
- CAS
96401-68-2- PubChem CID
- 57063
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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