HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

8-s-Butyl-2-(3,5-dimethylpiperidin-1-ylmethyl)-1,4-dioxaspiro[4,5] decane

HCID 14675375
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(C)C1CCC2(CC1)OCC(CN1CC(C)CC(C)C1)O2
InChIKey
WPQAGFSXOYSDMT-UHFFFAOYSA-N
Molecular formula
C20H37NO2
Average molar mass
323.5 g/mol

Names & identifiers

Preferred name
8-s-Butyl-2-(3,5-dimethylpiperidin-1-ylmethyl)-1,4-dioxaspiro[4,5] decane
IUPAC
1-[(8-butan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-3,5-dimethylpiperidine

Names & synonyms

SCHEMBL8996692WPQAGFSXOYSDMT-UHFFFAOYSA-N8-s-butyl-2-(3,5-dimethylpiperidin-1-ylmethyl) -1,4-dioxaspiro[4,5] decane

Database identifiers

PubChem CID
14675375

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
21.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
368

Related reactions

2 records
New reaction record
HRID 1085509 reaction equation
HRID 1085509As productuspto-grants-1991_04
HRID 2142870 reaction equation
HRID 2142870As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes