Structure Database (LMSD)

Common Name
Prosafrinine
Systematic Name
11-(5S-hydroxy-6S-methylpiperidin-2R-yl)undecan-3-one
Synonyms
LM ID
LMSP01080051
Status
Active
Exact Mass
Calculate m/z
283.251129
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FNYMOMSUWLCHBY-UXLLHSPISA-N
InChi (Click to copy)
InChI=1S/C17H33NO2/c1-3-16(19)11-9-7-5-4-6-8-10-15-12-13-17(20)14(2)18-15/h14-15,17-18,20H,3-13H2,1-2H3/t14-,15+,17-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCCCCCCCC(=O)CC)CC[C@H](O)[C@H](C)N1

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 316.24
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.45
Molar Refractivity 85.40

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Created at
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Updated at
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