Basic information
- CAS
19213-29-7- Standard SMILES
CC1CCCCN1Cc1c[nH]c2ccccc12- InChIKey
YUGZVPKKTDKFMZ-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Names & identifiers
- Preferred name
- Indole, 3-((2-methylpiperidino)methyl)-
- IUPAC
- 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole
Names & synonyms
3-((2-Methylpiperidino)methyl)indoleBRN 019398119213-29-7INDOLE, 3-((2-METHYLPIPERIDINO)METHYL)-4-22-00-04306 (Beilstein Handbook Reference)RefChem:3491813-[(2-methylpiperidin-1-yl)methyl]-1H-indole3-((2-methylpiperidin-1-yl)methyl)-1H-indoleOprea1_150114Oprea1_538540MLS000767541REGID_for_CID_29499
Show more names
CHEMBL1362559DTXSID70940863HMS2788I213-[(2-methylpiperidyl)methyl]indoleAKOS002266585AKOS016312596NCGC00246470-01SMR000429871
Database identifiers
- CAS
19213-29-7- PubChem CID
- 29499
- DTXSID
DTXSID70940863- ChEMBL
CHEMBL1362559
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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