(3S,4S)-methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate

HCID 44429174

Notes Reactions

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Basic information

Standard SMILES: COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIKey: XRGOEISCAQSORF-GHMZBOCLSA-N
Molecular formula: C14H17Cl2NO2
Average molar mass: 302.2 g/mol
Monoisotopic mass: 301.0636342

Names & identifiers

Preferred name: (3S,4S)-methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate
IUPAC: methyl (3S,4S)-4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate

Names & synonyms

CHEMBL397490XRGOEISCAQSORF-GHMZBOCLSA-NBDBM50211005(3S,4S)-methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate(+/-)-Cis-1-methyl-4-(3,4-dichlorophenyl)-piperidine-3-carboxylic acid methyl ester

Database identifiers

PubChem CID: 44429174
ChEMBL: CHEMBL397490

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 327

Related reactions

2 records

New reaction record

HRID 227569As productuspto-grants-2009_07

HRID 227570As reactantuspto-grants-2009_07

Compound notes

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