Name: Name:1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-[4-(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG00IF59
Rating: 90 (10 reviews)

1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-[4-(trifluoromethyl)phenyl]-

CAS No.:

885274-28-2

Catalog Number:

AG00IF59

Molecular Formula:

C18H23F3N2O4

Molecular Weight:

388.3814

Catalog Number:

AG00IF59

Chemical Name:

1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-[4-(trifluoromethyl)phenyl]-

CAS Number:

885274-28-2

Molecular Formula:

C18H23F3N2O4

Molecular Weight:

388.3814

MDL Number:

MFCD01862499

IUPAC Name:

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid

InChI:

InChI=1S/C18H23F3N2O4/c1-17(2,3)27-16(26)23-10-8-22(9-11-23)14(15(24)25)12-4-6-13(7-5-12)18(19,20)21/h4-7,14H,8-11H2,1-3H3,(H,24,25)

InChI Key:

NQRDPCITYZSTPP-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

388.161g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

388.387g/mol

Monoisotopic Mass:

388.161g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8