Name: Name:1-Piperazinecarboxylic acid, 4-(1-isoquinolinyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0029YQ
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-(1-isoquinolinyl)-, 1,1-dimethylethyl ester

CAS No.:

205264-33-1

Catalog Number:

AG0029YQ

Molecular Formula:

C18H23N3O2

Molecular Weight:

313.3941

Catalog Number:

AG0029YQ

Chemical Name:

1-Piperazinecarboxylic acid, 4-(1-isoquinolinyl)-, 1,1-dimethylethyl ester

CAS Number:

205264-33-1

Molecular Formula:

C18H23N3O2

Molecular Weight:

313.3941

MDL Number:

MFCD18205975

IUPAC Name:

tert-butyl 4-isoquinolin-1-ylpiperazine-1-carboxylate

InChI:

InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-12-10-20(11-13-21)16-15-7-5-4-6-14(15)8-9-19-16/h4-9H,10-13H2,1-3H3

InChI Key:

WVMXGIDINZEYFT-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)c1nccc2c1cccc2)OC(C)(C)C

Complexity:

413

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.401g/mol

Monoisotopic Mass:

313.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2