4-[2-(Dimethylamino)thiazol-4-yl]-4-phenylpiperidine p-toluenesulfonate

HCID 21200554
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Basic information

Standard SMILES
CN(C)c1nc(C2(c3ccccc3)CCNCC2)cs1.Cc1ccc(S(=O)(=O)O)cc1
InChIKey
PQQQQHAIURHFRO-UHFFFAOYSA-N
Molecular formula
C23H29N3O3S2
Average molar mass
459.6 g/mol
Monoisotopic mass
459.16503414

Names & identifiers

Preferred name
4-[2-(Dimethylamino)thiazol-4-yl]-4-phenylpiperidine p-toluenesulfonate
IUPAC
N,N-dimethyl-4-(4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine;4-methylbenzenesulfonic acid

Names & synonyms

SCHEMBL7749120PQQQQHAIURHFRO-UHFFFAOYSA-N4-[2-(Dimethylamino)thiazol-4-yl]-4-phenylpiperidine p-toluenesulfonate

Database identifiers

PubChem CID
21200554

Properties

Computed structural properties

Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
31

Related reactions

11 records
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Compound notes

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