Home Carboxys Trans-tert-butyl 3-hydroxy-3,4-dimethylpiperidine-1-carboxylate

Trans-tert-butyl 3-hydroxy-3,4-dimethylpiperidine-1-carboxylate

CAS No.:
1932032-51-3
Catalog Number:
AG00I2WJ
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
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Product Description
Catalog Number:
AG00I2WJ
Chemical Name:
Trans-tert-butyl 3-hydroxy-3,4-dimethylpiperidine-1-carboxylate
CAS Number:
1932032-51-3
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
MDL Number:
MFCD28119208
IUPAC Name:
tert-butyl (3S,4R)-3-hydroxy-3,4-dimethylpiperidine-1-carboxylate
InChI:
InChI=1S/C12H23NO3/c1-9-6-7-13(8-12(9,5)15)10(14)16-11(2,3)4/h9,15H,6-8H2,1-5H3/t9-,12-/m1/s1
InChI Key:
FBDBUQWAAYRPBZ-BXKDBHETSA-N
SMILES:
O=C(N1CC[C@H]([C@](C1)(C)O)C)OC(C)(C)C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties