Ethyl 4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboxylate
Basic information
- CAS
6958-67-4- Standard SMILES
CCOC(=O)N1CCN(CC(O)CN2CCCC(C)C2)CC1- InChIKey
OYXHFBDAJBFGBQ-UHFFFAOYSA-N- Molecular formula
- C16H31N3O3
- Average molar mass
- 313.44 g/mol
- Monoisotopic mass
- 313.23654186
Names & identifiers
- Preferred name
- Ethyl 4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboxylate
- IUPAC
- ethyl 4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboxylate
Names & synonyms
6958-67-4NSC64870ethyl 4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboxylateDTXSID90989658NSC-64870
Database identifiers
- CAS
6958-67-4- PubChem CID
- 248201
- DTXSID
DTXSID90989658
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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