Name: Name:1-Piperazinecarboxylic acid, 4-(4-formyl-3-hydroxyphenyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001JW3
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-(4-formyl-3-hydroxyphenyl)-, 1,1-dimethylethyl ester

CAS No.:

1446332-69-9

Catalog Number:

AG001JW3

Molecular Formula:

C16H22N2O4

Molecular Weight:

306.3569

Catalog Number:

AG001JW3

Chemical Name:

1-Piperazinecarboxylic acid, 4-(4-formyl-3-hydroxyphenyl)-, 1,1-dimethylethyl ester

CAS Number:

1446332-69-9

Molecular Formula:

C16H22N2O4

Molecular Weight:

306.3569

MDL Number:

MFCD26407296

IUPAC Name:

tert-butyl 4-(4-formyl-3-hydroxyphenyl)piperazine-1-carboxylate

InChI:

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-8-6-17(7-9-18)13-5-4-12(11-19)14(20)10-13/h4-5,10-11,20H,6-9H2,1-3H3

InChI Key:

ZCZVQJLBRKFTDC-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(cc1O)N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.362g/mol

Monoisotopic Mass:

306.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4