Methyl 3-(3-piperidinyloxy)benzoate

HCID 45075404

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Basic information

CAS: 946681-12-5
Standard SMILES: COC(=O)c1cccc(OC2CCCNC2)c1
InChIKey: BHIOYRICHYKEPK-UHFFFAOYSA-N
Molecular formula: C13H17NO3
Average molar mass: 235.28 g/mol
Monoisotopic mass: 235.1208434

Names & identifiers

Preferred name: Methyl 3-(3-piperidinyloxy)benzoate
IUPAC: methyl 3-piperidin-3-yloxybenzoate

Names & synonyms

Methyl 3-(3-piperidinyloxy)benzoate946681-12-5METHYL 3-(PIPERIDIN-3-YLOXY)BENZOATEDTXSID401294860AKOS005263898Methyl 3-[(piperidin-3-yl)oxy]benzoateDB-351894EN300-1847192

Database identifiers

CAS: 946681-12-5
PubChem CID: 45075404
DTXSID: DTXSID401294860

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 257

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