Benzyl 5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate
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Basic information
- CAS
1041704-16-8- Standard SMILES
O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccc(Cl)cc12- InChIKey
SLCDCBJWYWCCDM-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O2
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.1291556
Names & identifiers
- Preferred name
- Benzyl 5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate
- IUPAC
- benzyl 5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
- English name
- BENZYL 5-CHLOROSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE
- Molecular formula
- C20H21ClN2O2
- Molecular weight
- 356.85
Names & synonyms
1041704-16-8BENZYL 5-CHLOROSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATEbenzyl 5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylateBenzyl5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylateBENZYL 5-CHLORO-1,2-DIHYDROSPIRO[INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLATEMFCD15071703SCHEMBL3728320AKOS022177313MB14679AS-71201CS-0036423W14220
Show more names
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 5-chloro-1,2-dihydro-, phenylmethyl ester
Database identifiers
- CAS
1041704-16-8- PubChem CID
- 68763769
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Boiling point
- 530.1 · 530.1±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 4.58 · 4.58±0.20(Predicted)
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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