Home Carboxys 3-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

3-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

CAS No.:
886767-93-7
Catalog Number:
AG00IFC2
Molecular Formula:
C16H21F3N2O2
Molecular Weight:
330.3453
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$341
- +
5g
97%
1 week
United States
$946
- +
Product Description
Catalog Number:
AG00IFC2
Chemical Name:
3-(4-Trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
886767-93-7
Molecular Formula:
C16H21F3N2O2
Molecular Weight:
330.3453
MDL Number:
MFCD08686043
IUPAC Name:
tert-butyl 3-[4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21-9-8-20-13(10-21)11-4-6-12(7-5-11)16(17,18)19/h4-7,13,20H,8-10H2,1-3H3
InChI Key:
OFLVGTQESIIGGB-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1ccc(cc1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.156g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
330.351g/mol
Monoisotopic Mass:
330.156g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties