Basic information
- CAS
3414-76-4- Standard SMILES
Nc1ccc2[nH]cc(CN3CCCCC3)c2c1- InChIKey
BNBTUHDEDADTFG-UHFFFAOYSA-N- Molecular formula
- C14H19N3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.15789762
Names & identifiers
- Preferred name
- Indole, 5-amino-3-(piperidinomethyl)-
- IUPAC
- 3-(piperidin-1-ylmethyl)-1H-indol-5-amine
- English name
- 3-(1-Piperidinylmethyl)-1H-indol-5-amine
- Molecular formula
- C14H19N3
- Molecular weight
- 229.32
Names & synonyms
3414-76-4INDOLE, 5-AMINO-3-(PIPERIDINOMETHYL)-3-(1-Piperidinylmethyl)-1H-indol-5-amineBRN 04042355-Amino-3-piperidinomethylindole3-(Piperidinomethyl)-5-indoleamine3-[(piperidin-1-yl)methyl]-1H-indol-5-amineDTXSID501877393-(Piperidin-1-ylMethyl)-1H-indol-5-aMine1H-Indol-5-amine, 3-(1-piperidinylmethyl)-
Database identifiers
- CAS
3414-76-4- PubChem CID
- 18893
- DTXSID
DTXSID50187739- Nikkaji
- J41.027F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 432 · 432.0±30.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 17.9 · 17.90±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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