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

3-Fluoro-4-(4-methyl-1-piperidinyl)benzylamine

HCID 22337572
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CCN(c2ccc(CN)cc2F)CC1
InChIKey
IMTHQQUQASHAHW-UHFFFAOYSA-N
Molecular formula
C13H19FN2
Average molar mass
222.3 g/mol
Monoisotopic mass
222.15322678

Names & identifiers

Preferred name
3-Fluoro-4-(4-methyl-1-piperidinyl)benzylamine
IUPAC
[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]methanamine

Names & synonyms

SCHEMBL4025798IMTHQQUQASHAHW-UHFFFAOYSA-N581813-02-7DB-0874653-fluoro-4-(4-methyl-1-piperidinyl)benzylamine

Database identifiers

PubChem CID
22337572

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
214

Related reactions

4 records
New reaction record
HRID 585981 reaction equation
HRID 585981As reactantuspto-grants-2005_08
HRID 887250 reaction equation
HRID 887250As reactantuspto-grants-2012_08
HRID 1202053 reaction equation
HRID 1202053As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2056868 reaction equation
HRID 2056868As reactantuspto-grants-2008_02

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes