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Basic information
- Standard SMILES
Cl.Cl.O=C(OCc1ccccc1)N1CCC(OC(=O)N2CCNCC2COc2cccnc2)CC1- InChIKey
VAYDEBNGRWNAED-UHFFFAOYSA-N- Molecular formula
- C24H32Cl2N4O5
- Average molar mass
- 527.4 g/mol
- Monoisotopic mass
- 526.1749755
Names & identifiers
- Preferred name
- 1-(Benzyloxycarbonyl)piperidin-4-yl 2-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate dihydrochloride
- IUPAC
- (1-phenylmethoxycarbonylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;dihydrochloride
Names & synonyms
SCHEMBL779239VAYDEBNGRWNAED-UHFFFAOYSA-N1-(benzyloxycarbonyl)piperidin-4-yl 2-((pyridin-3-yloxy)methyl)piperazine-1-carboxylate dihydrochloride
Database identifiers
- PubChem CID
- 66796830
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 622
Related reactions
3 records
Compound notes
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