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

4-(2,3-Dihydro-1H-isoindol-5-yl)-1-methyl-4-piperidinol

HCID 11955867
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC(O)(c2ccc3c(c2)CNC3)CC1
InChIKey
GVOLPLIQYDLERK-UHFFFAOYSA-N
Molecular formula
C14H20N2O
Average molar mass
232.32 g/mol

Names & identifiers

Preferred name
4-(2,3-Dihydro-1H-isoindol-5-yl)-1-methyl-4-piperidinol
IUPAC
4-(2,3-dihydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol

Names & synonyms

SCHEMBL383232DB-1523574-(2,3-Dihydro-1H-isoindol-5-yl)-1-methyl-4-piperidinol912999-71-4

Database identifiers

PubChem CID
11955867

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
35.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
273

Related reactions

2 records
New reaction record
HRID 191007 reaction equation
HRID 191007As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 955952 reaction equation
HRID 955952As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes