3-Piperidinylmethyl benzoate hydrochloride
Basic information
- CAS
1219972-66-3- Standard SMILES
Cl.O=C(OCC1CCCNC1)c1ccccc1- InChIKey
OAHVRRMYXNIWGL-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO2
- Average molar mass
- 255.74 g/mol
- Monoisotopic mass
- 255.1026065
Names & identifiers
- Preferred name
- 3-Piperidinylmethyl benzoate hydrochloride
- IUPAC
- piperidin-3-ylmethyl benzoate;hydrochloride
Names & synonyms
3-PIPERIDINYLMETHYL BENZOATE HYDROCHLORIDE1219972-66-3piperidin-3-ylmethyl benzoate hydrochloridepiperidin-3-ylmethyl benzoate;hydrochlorideAKOS015846955piperidin-3-ylmethylbenzoatehydrochloride
Database identifiers
- CAS
1219972-66-3- PubChem CID
- 53409802
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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