Home Other Building Blocks 3-BENZYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER-HCl

3-BENZYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER-HCl

CAS No.:
1203127-48-3
Catalog Number:
AG008X0S
Molecular Formula:
C17H27ClN2O2
Molecular Weight:
326.8615
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Product Description
Catalog Number:
AG008X0S
Chemical Name:
3-BENZYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER-HCl
CAS Number:
1203127-48-3
Molecular Formula:
C17H27ClN2O2
Molecular Weight:
326.8615
MDL Number:
MFCD11101357
IUPAC Name:
tert-butyl 3-(benzylamino)piperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C17H26N2O2.ClH/c1-17(2,3)21-16(20)19-11-7-10-15(13-19)18-12-14-8-5-4-6-9-14;/h4-6,8-9,15,18H,7,10-13H2,1-3H3;1H
InChI Key:
MFWKBEKMLAIZEF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)NCc1ccccc1)OC(C)(C)C.Cl
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.176g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
326.865g/mol
Monoisotopic Mass:
326.176g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties