Basic information
- CAS
3414-78-6- Standard SMILES
Nc1ccc2[nH]cc(CN3CCN(Cc4ccccc4)CC3)c2c1- InChIKey
FOXCFIPZINDAQU-UHFFFAOYSA-N- Molecular formula
- C20H24N4
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.20009678
Names & identifiers
- Preferred name
- Indole, 5-amino-3-((4-benzylpiperazinyl)methyl)-
- IUPAC
- 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
- English name
- 5-Amino-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-indole
- Molecular formula
- C20H24N4
- Molecular weight
- 320.43
Names & synonyms
3414-78-6BRN 1594683INDOLE, 5-AMINO-3-((4-BENZYLPIPERAZINYL)METHYL)-3-((4-Benzylpiperazinyl)methyl)-5-indoleaminePiperazine, 1-(5-amino-3-indolylmethyl)-4-benzyl-DTXSID601877405-23-03-00097 (Beilstein Handbook Reference)RefChem:349272DTXCID201102313-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine3-[(4-Benzyl-1-piperazinyl)methyl]-1H-indol-5-amine5-Amino-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-indole
Show more names
1H-Indol-5-amine, 3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-
Database identifiers
- CAS
3414-78-6- PubChem CID
- 18894
- DTXSID
DTXSID60187740- Nikkaji
- J41.025J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 532.6 · 532.6±45.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 17.87 · 17.87±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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