Home Carboxys tert-butyl 4-hydroxy-4-(1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carboxylate

CAS No.:
1803594-41-3
Catalog Number:
AG01BG89
Molecular Formula:
C11H19N5O3
Molecular Weight:
269.3003
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Product Description
Catalog Number:
AG01BG89
Chemical Name:
tert-butyl 4-hydroxy-4-(1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carboxylate
CAS Number:
1803594-41-3
Molecular Formula:
C11H19N5O3
Molecular Weight:
269.3003
MDL Number:
MFCD28246240
IUPAC Name:
tert-butyl 4-hydroxy-4-(2H-tetrazol-5-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H19N5O3/c1-10(2,3)19-9(17)16-6-4-11(18,5-7-16)8-12-14-15-13-8/h18H,4-7H2,1-3H3,(H,12,13,14,15)
InChI Key:
GSJRJFZEJOORJQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(O)c1nnn[nH]1)OC(C)(C)C
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.149g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.305g/mol
Monoisotopic Mass:
269.149g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties