Home Aminos Carbamic acid, N-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxy-5-nitrophenyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxy-5-nitrophenyl]-, 1,1-dimethylethyl ester

CAS No.:
1894234-34-4
Catalog Number:
AG00IM2X
Molecular Formula:
C19H30N4O5
Molecular Weight:
394.4653
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Product Description
Catalog Number:
AG00IM2X
Chemical Name:
Carbamic acid, N-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxy-5-nitrophenyl]-, 1,1-dimethylethyl ester
CAS Number:
1894234-34-4
Molecular Formula:
C19H30N4O5
Molecular Weight:
394.4653
MDL Number:
MFCD31567530
IUPAC Name:
tert-butyl N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]carbamate
InChI:
InChI=1S/C19H30N4O5/c1-19(2,3)28-18(24)20-14-11-16(23(25)26)15(12-17(14)27-6)22-9-7-13(8-10-22)21(4)5/h11-13H,7-10H2,1-6H3,(H,20,24)
InChI Key:
LHYBUNYNSGODFU-UHFFFAOYSA-N
SMILES:
COc1cc(N2CCC(CC2)N(C)C)c(cc1NC(=O)OC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
537  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.222g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
394.472g/mol
Monoisotopic Mass:
394.222g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties