Home Other Building Blocks 3-(4-TERT-BUTYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

3-(4-TERT-BUTYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CAS No.:
886767-01-7
Catalog Number:
AG01EJ6A
Molecular Formula:
C19H30N2O2
Molecular Weight:
318.4537
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Product Description
Catalog Number:
AG01EJ6A
Chemical Name:
3-(4-TERT-BUTYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
886767-01-7
Molecular Formula:
C19H30N2O2
Molecular Weight:
318.4537
MDL Number:
MFCD08685974
IUPAC Name:
tert-butyl 3-(4-tert-butylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C19H30N2O2/c1-18(2,3)15-9-7-14(8-10-15)16-13-21(12-11-20-16)17(22)23-19(4,5)6/h7-10,16,20H,11-13H2,1-6H3
InChI Key:
YIWWHBLNPHYESE-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1ccc(cc1)C(C)(C)C)OC(C)(C)C
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.231g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.461g/mol
Monoisotopic Mass:
318.231g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties