Basic information
- CAS
74191-76-7- Standard SMILES
CN1CCN(CCC(=O)OC2CC3CCC(C2)N3C)CC1- InChIKey
YQPXDVZGMQYMBR-UHFFFAOYSA-N- Molecular formula
- C16H29N3O2
- Average molar mass
- 295.42 g/mol
- Monoisotopic mass
- 295.22597718
Names & identifiers
- Preferred name
- atropine beta-(N-methylpiperazinyl)propionate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazin-1-yl)propanoate
- English name
- atropine beta-(N-methylpiperazinyl)propionate
- Molecular formula
- C16H29N3O2
- Molecular weight
- 295.42
Names & synonyms
Atropine beta-(N-methylpiperazinyl)propionateAtropine-MPZP74191-76-7Tropin beta-(N-methylpiperzinyl)propionateRefChem:115522(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazin-1-yl)propanoate8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-(4-methylpiperazin-1-yl)propanoateOprea1_460399beta-(N-Methylpiperazinyl)propionic ester of tropinCHEMBL1616847SCHEMBL29370215DTXSID20995661
Show more names
1-Piperazinepropanoic acid, 4-methyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
LK 14STK996052AKOS000573617AKOS022090651endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 4-methyl-1-piperazinepropanoateNCGC00245232-01EU-0078394AH-262/02649059
Database identifiers
- CAS
74191-76-7- PubChem CID
- 64656
- DTXSID
DTXSID20995661- ChEMBL
CHEMBL1616847
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 394.187 · 394.187±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.135 · 1.135±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.812 · 9.812±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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