1-Phenethyl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)piperidin-4-ol
Basic information
- CAS
70400-82-7- Standard SMILES
OC1(C2NCCc3ccccc32)CCN(CCc2ccccc2)CC1- InChIKey
CFCHEFXZEZPWCS-UHFFFAOYSA-N- Molecular formula
- C22H28N2O
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.22016352
Names & identifiers
- Preferred name
- 1-Phenethyl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)piperidin-4-ol
- IUPAC
- 1-(2-phenylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)piperidin-4-ol
Names & synonyms
70400-82-7NSC2879911-phenethyl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)piperidin-4-olDTXSID90314729NSC-2879911-(2-Phenylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)piperidin-4-ol
Database identifiers
- CAS
70400-82-7- PubChem CID
- 324070
- DTXSID
DTXSID90314729
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
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Compound notes
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