Basic information
- Standard SMILES
O=C([C@@H]1Cc2ccccc2CN1)N1CCCCC1- InChIKey
ZCYXCLHBGPYIOE-AWEZNQCLSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- (3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- piperidin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
Names & synonyms
(3S)-3-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinoline256373-09-8SCHEMBL4869279ZCYXCLHBGPYIOE-AWEZNQCLSA-NEN300-15989241(3S)-3-(Piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline6S5
Database identifiers
- PubChem CID
- 10657955
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Related reactions
1 records
Compound notes
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