Name: Name:1-Piperazinecarboxylic acid, 4-[4-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001R2Y
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-[4-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester

CAS No.:

158985-36-5

Catalog Number:

AG001R2Y

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

Catalog Number:

AG001R2Y

Chemical Name:

1-Piperazinecarboxylic acid, 4-[4-(methoxycarbonyl)phenyl]-, 1,1-dimethylethyl ester

CAS Number:

158985-36-5

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

MDL Number:

MFCD06200865

IUPAC Name:

tert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate

InChI:

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)14-7-5-13(6-8-14)15(20)22-4/h5-8H,9-12H2,1-4H3

InChI Key:

SMDBCJAJWDCJOP-UHFFFAOYSA-N

SMILES:

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

Complexity:

417

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.389g/mol

Monoisotopic Mass:

320.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6