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

HCID 9799042
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Basic information

Standard SMILES
COc1ccc(C2(C#N)CC2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIKey
WXRFOHPEWDAQMP-UNMCSNQZSA-N
Molecular formula
C23H27N3O
Average molar mass
361.5 g/mol
Monoisotopic mass
361.21541249

Names & identifiers

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

Names & synonyms

SCHEMBL7586208WXRFOHPEWDAQMP-UNMCSNQZSA-N(2S,3S)-3-(5-(1-Cyanocyclopropyl)-2-methoxybenzyl)amino-2-phenylpiperidine

Database identifiers

PubChem CID
9799042

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
57.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

Related reactions

3 records
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Compound notes

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