Basic information
- CAS
359877-98-8- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NCc2cccc(Br)c2)CC1- InChIKey
VUVQLTINLBNMJM-UHFFFAOYSA-N- Molecular formula
- C17H25BrN2O2
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 368.10994014
Names & identifiers
- Preferred name
- tert-Butyl 4-(3-bromobenzylamino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(3-bromophenyl)methylamino]piperidine-1-carboxylate
- English name
- 1-BOC-4-(3-BROMO-BENZYLAMINO)-PIPERIDINE
- Molecular formula
- C17H25BrN2O2
- Molecular weight
- 369.3
Names & synonyms
359877-98-8tert-Butyl 4-(3-bromobenzylamino)piperidine-1-carboxylatetert-Butyl 4-((3-bromobenzyl)amino)piperidine-1-carboxylateTert-butyl 4-[(3-bromophenyl)methylamino]piperidine-1-carboxylateSCHEMBL4210228DTXSID10469543VUVQLTINLBNMJM-UHFFFAOYSA-NMFCD07785999AKOS027378993TERT-BUTYL 4-{[(3-BROMOPHENYL)METHYL]AMINO}PIPERIDINE-1-CARBOXYLATEKS-58701-Piperidinecarboxylicacid, 4-[[(3-bromophenyl)methyl]amino]-, 1,1-dimethylethyl ester
Show more names
1-BOC-4-(3-BROMO-BENZYLAMINO)-PIPERIDINEtert-butyl 4-((3-bromophenyl)methyl)aminopiperidine carboxylate1-Piperidinecarboxylic acid, 4-[[(3-bromophenyl)methyl]amino]-, 1,1-dimethylethyl ester
CS-0362677F063405tert-Butyl4-((3-bromobenzyl)amino)piperidine-1-carboxylatetert-butyl 4-((3-bromophenyl)methyl)amino-piperidine carboxylate
Database identifiers
- CAS
359877-98-8- PubChem CID
- 11617611
- DTXSID
DTXSID10469543
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 443.3 · 443.3±40.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.20(Predicted)
Chemistry & industry
Suppliers3 total
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
9 records
Compound notes
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