Basic information
- Standard SMILES
Cl.O.O=C1CCCN(Cc2ccccc2)C1- InChIKey
XDAGZUGDGORLMZ-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- 1-Benzylpiperidin-3-one hydrochloride hydrate
- IUPAC
- 1-benzylpiperidin-3-one;hydrate;hydrochloride
Names & synonyms
1-benzylpiperidin-3-one hydrochloride hydrateMFCD001500961-benzyl-3-piperidone hydrochloride monohydrate1-benzylpiperidin-3-one;hydrate;hydrochloride1-benzylpiperidin-3-one Hydrate HydrochlorideAC-3202DS-2667CS-01562891-(phenylmethyl)-3-piperidinone hydrochloride hydrate1-Benzyl-3-piperiSCHEMBL23467491-benzyl-3-piperidonehcl hydrate
Show more names
1-benzyl-3-piperidone hydrate HClAKOS005259876SB432041-Benzyl-3-piperidone HCl salt hydrate1-Benzyl-3-piperidonehydrochloridehydrateSY004988SY1122731-BENZYL-3-PIPERIDONE, HCL HYDRATE
Database identifiers
- PubChem CID
- 2760896
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Related reactions
9 records
Compound notes
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