Name: Name:1,4-Piperidinedicarboxylic acid, 4-(1-methylethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
Brand: Angene
SKU: AG0017LO
Rating: 90 (10 reviews)

1,4-Piperidinedicarboxylic acid, 4-(1-methylethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester

CAS No.:

1226776-80-2

Catalog Number:

AG0017LO

Molecular Formula:

C21H31NO4

Molecular Weight:

361.4751

Catalog Number:

AG0017LO

Chemical Name:

1,4-Piperidinedicarboxylic acid, 4-(1-methylethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester

CAS Number:

1226776-80-2

Molecular Formula:

C21H31NO4

Molecular Weight:

361.4751

MDL Number:

MFCD16495869

IUPAC Name:

4-O-benzyl 1-O-tert-butyl 4-propan-2-ylpiperidine-1,4-dicarboxylate

InChI:

InChI=1S/C21H31NO4/c1-16(2)21(18(23)25-15-17-9-7-6-8-10-17)11-13-22(14-12-21)19(24)26-20(3,4)5/h6-10,16H,11-15H2,1-5H3

InChI Key:

QWNDJDHFFBXOSV-UHFFFAOYSA-N

SMILES:

CC(C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1)C

Complexity:

481

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.482g/mol

Monoisotopic Mass:

361.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1