Name: Name:(S)-3-(4-CHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Brand: Angene
SKU: AG01E66W
Rating: 90 (10 reviews)

(S)-3-(4-CHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CAS No.:

1228561-86-1

Catalog Number:

AG01E66W

Molecular Formula:

C15H21ClN2O2

Molecular Weight:

296.7924

Catalog Number:

AG01E66W

Chemical Name:

(S)-3-(4-CHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CAS Number:

1228561-86-1

Molecular Formula:

C15H21ClN2O2

Molecular Weight:

296.7924

MDL Number:

MFCD08686010

IUPAC Name:

tert-butyl (3S)-3-(4-chlorophenyl)piperazine-1-carboxylate

InChI:

InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3/t13-/m1/s1

InChI Key:

WWWIVVADARKSAS-CYBMUJFWSA-N

SMILES:

O=C(N1CCN[C@H](C1)c1ccc(cc1)Cl)OC(C)(C)C

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.129g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.795g/mol

Monoisotopic Mass:

296.129g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6