Name: Name:1,4-Piperazinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
Brand: Angene
SKU: AG000XT8
Rating: 90 (10 reviews)

1,4-Piperazinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester

CAS No.:

128102-16-9

Catalog Number:

AG000XT8

Molecular Formula:

C18H26N2O4

Molecular Weight:

334.4100

Catalog Number:

AG000XT8

Chemical Name:

1,4-Piperazinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester

CAS Number:

128102-16-9

Molecular Formula:

C18H26N2O4

Molecular Weight:

334.4100

MDL Number:

MFCD06410782

IUPAC Name:

4-O-benzyl 1-O-tert-butyl (2R)-2-methylpiperazine-1,4-dicarboxylate

InChI:

InChI=1S/C18H26N2O4/c1-14-12-19(10-11-20(14)17(22)24-18(2,3)4)16(21)23-13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1

InChI Key:

KEFLVDKHKWYORF-CQSZACIVSA-N

SMILES:

O=C(N1CCN(C(C1)C)C(=O)OC(C)(C)C)OCc1ccccc1

Complexity:

441

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.416g/mol

Monoisotopic Mass:

334.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7