Name: Name:(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-ethoxy-2-oxoethoxy)Methyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG00GTWT
Rating: 90 (10 reviews)

(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-ethoxy-2-oxoethoxy)Methyl)piperidine-1-carboxylate

CAS No.:

942142-76-9

Catalog Number:

AG00GTWT

Molecular Formula:

C21H30ClNO5

Molecular Weight:

411.9196

Catalog Number:

AG00GTWT

Chemical Name:

(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-ethoxy-2-oxoethoxy)Methyl)piperidine-1-carboxylate

CAS Number:

942142-76-9

Molecular Formula:

C21H30ClNO5

Molecular Weight:

411.9196

MDL Number:

MFCD18642791

IUPAC Name:

tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-(2-ethoxy-2-oxoethoxy)methyl]piperidine-1-carboxylate

InChI:

InChI=1S/C21H30ClNO5/c1-5-26-18(24)14-27-19(15-8-6-10-17(22)12-15)16-9-7-11-23(13-16)20(25)28-21(2,3)4/h6,8,10,12,16,19H,5,7,9,11,13-14H2,1-4H3/t16-,19+/m1/s1

InChI Key:

LCEBXWZIFJGFHT-APWZRJJASA-N

SMILES:

CCOC(=O)CO[C@H]([C@@H]1CCCN(C1)C(=O)OC(C)(C)C)c1cccc(c1)Cl

Complexity:

521

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

411.181g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.923g/mol

Monoisotopic Mass:

411.181g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2