1-Cbz-4-(3-aminophenoxy)-piperidine

HCID 68453441

Notes Reactions

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Basic information

Standard SMILES: Nc1cccc(OC2CCN(C(=O)OCc3ccccc3)CC2)c1
InChIKey: PNNVHSCGROUQKT-UHFFFAOYSA-N
Molecular formula: C19H22N2O3
Average molar mass: 326.4 g/mol
Monoisotopic mass: 326.16304257

Names & identifiers

Preferred name: 1-Cbz-4-(3-aminophenoxy)-piperidine
IUPAC: benzyl 4-(3-aminophenoxy)piperidine-1-carboxylate

Names & synonyms

1-Cbz-4-(3-aminophenoxy)-piperidine872037-69-9benzyl 4-(3-aminophenoxy)piperidine-1-carboxylateMFCD11849731SCHEMBL2947696PNNVHSCGROUQKT-UHFFFAOYSA-NAB91766CS-04575604(3-Amino-phenoxy)-piperidin-1-yl carboxylic acid benzyl ester4-(3-Amino-phenoxy)-piperidin-1-yl Carboxylic Acid Benzyl Ester

Database identifiers

PubChem CID: 68453441

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 64.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 390

Related reactions

2 records

New reaction record

HRID 499191As productuspto-grants-2010_08

HRID 2145481As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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