Home Other Building Blocks Carbamic acid, N-[(3S,4R)-4-hydroxy-3-piperidinyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[(3S,4R)-4-hydroxy-3-piperidinyl]-, 1,1-dimethylethyl ester

CAS No.:
1549812-73-8
Catalog Number:
AG001NIK
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
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Product Description
Catalog Number:
AG001NIK
Chemical Name:
Carbamic acid, N-[(3S,4R)-4-hydroxy-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1549812-73-8
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
IUPAC Name:
tert-butyl N-[(3S,4R)-4-hydroxypiperidin-3-yl]carbamate
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m0/s1
InChI Key:
REUNVCLBHFFYFH-JGVFFNPUSA-N
SMILES:
O[C@@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nature chemical biology 20150301
Properties