tert-Butyl 4-(3-bromobenzylamino)piperidine-1-carboxylate

HCID 11617611

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

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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