Home Carboxys Benzyl (3s,5s)-3,5-dimethylpiperazine-1-carboxylate

Benzyl (3s,5s)-3,5-dimethylpiperazine-1-carboxylate

CAS No.:
874279-60-4
Catalog Number:
AG00IEIT
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
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Product Description
Catalog Number:
AG00IEIT
Chemical Name:
Benzyl (3s,5s)-3,5-dimethylpiperazine-1-carboxylate
CAS Number:
874279-60-4
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD27988069
IUPAC Name:
benzyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-11-8-16(9-12(2)15-11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12-/m0/s1
InChI Key:
XYDSFNOXAYIVAR-RYUDHWBXSA-N
SMILES:
C[C@@H]1N[C@@H](C)CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties