Basic information
- Standard SMILES
CCN1CCCC(N(C)C2c3ccccc3Oc3ccccc32)C1- InChIKey
NOILUBUAJYTAEK-UHFFFAOYSA-N- Molecular formula
- C21H26N2O
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.20451346
Names & identifiers
- Preferred name
- N-methyl-N-(N-ethyl-3-piperidinyl)-9-xanthenylamine
- IUPAC
- 1-ethyl-N-methyl-N-(9H-xanthen-9-yl)piperidin-3-amine
Names & synonyms
CHEMBL20314SCHEMBL11725555NOILUBUAJYTAEK-UHFFFAOYSA-NN-methyl-N-(N-ethyl-3-piperidinyl)-9-xanthenylamine
Database identifiers
- PubChem CID
- 21482827
- ChEMBL
CHEMBL20314
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Related reactions
2 records
Compound notes
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