Basic information
- CAS
26844-11-1- Standard SMILES
c1ccc(CNC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1- InChIKey
OWRFTSGIBJFNMI-UHFFFAOYSA-N- Molecular formula
- C22H27N3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.22049787
Names & identifiers
- Preferred name
- 4-Piperidinamine, 1-(2-(1H-indol-3-yl)ethyl)-N-(phenylmethyl)-
- IUPAC
- N-benzyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
Names & synonyms
BRN 04934984-Piperidinamine, 1-(2-(1H-indol-3-yl)ethyl)-N-(phenylmethyl)-26844-11-11-(2-(1H-Indol-3-yl)ethyl)-N-(phenylmethyl)-4-piperidinamineDTXSID50181338RefChem:295578DTXCID601038295-22-10-00115 (Beilstein Handbook Reference)n-benzyl-1-[2-(1h-indol-3-yl)ethyl]piperidin-4-amine
Database identifiers
- CAS
26844-11-1- PubChem CID
- 213619
- DTXSID
DTXSID50181338
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 31.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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