(1-Benzyl-piperidin-4-YL)-carbamic acid 4-nitro-benzyl ester
Basic information
- CAS
883808-44-4- Standard SMILES
O=C(NC1CCN(Cc2ccccc2)CC1)OCc1ccc([N+](=O)[O-])cc1- InChIKey
SMFQSDHOJOKIKV-UHFFFAOYSA-N- Molecular formula
- C20H23N3O4
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.16885622
Names & identifiers
- Preferred name
- (1-Benzyl-piperidin-4-YL)-carbamic acid 4-nitro-benzyl ester
- IUPAC
- (4-nitrophenyl)methyl N-(1-benzylpiperidin-4-yl)carbamate
- English name
- (1-Benzyl-piperidin-4-yl)-carbamic acid 4-nitro-benzyl ester
- Molecular formula
- C20H23N3O4
- Molecular weight
- 369.42
Names & synonyms
AKOS024422027(1-BENZYL-PIPERIDIN-4-YL)-CARBAMIC ACID 4-NITRO-BENZYL ESTERCarbamic acid, [1-(phenylmethyl)-4-piperidinyl]-, (4-nitrophenyl)methyl ester
Database identifiers
- CAS
883808-44-4- PubChem CID
- 3589285
- EC Number
- 164-433-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 548.098 · 548.098±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.269 · 1.269±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.726 · 11.726±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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