(2S,3S)-3-(5-(1-Cyanocyclopropyl)-2-methoxybenzyl)amino-2-phenylpiperidine dihydrochloride

HCID 9954592
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Basic information

Standard SMILES
COc1ccc(C2(C#N)CC2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl
InChIKey
HKFXQHFGFGYING-HWELVIDPSA-N
Molecular formula
C23H29Cl2N3O
Average molar mass
434.4 g/mol
Monoisotopic mass
433.1687679

Names & identifiers

Preferred name
(2S,3S)-3-(5-(1-Cyanocyclopropyl)-2-methoxybenzyl)amino-2-phenylpiperidine dihydrochloride
IUPAC
1-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]cyclopropane-1-carbonitrile;dihydrochloride

Names & synonyms

SCHEMBL7590826HKFXQHFGFGYING-HWELVIDPSA-N(2S,3S)-3-(5-(1-Cyanocyclopropyl)-2-methoxybenzyl)amino-2-phenylpiperidine dihydrochloride

Database identifiers

PubChem CID
9954592

Properties

Computed structural properties

Topological polar surface area
57.1 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29

Related reactions

8 records
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Compound notes

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