Name: Name:1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-ethyl 1-(phenylmethyl) ester
Brand: Angene
SKU: AG0011MN
Rating: 90 (10 reviews)

1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-ethyl 1-(phenylmethyl) ester

CAS No.:

1363166-26-0

Catalog Number:

AG0011MN

Molecular Formula:

C19H27NO4

Molecular Weight:

333.4220

Catalog Number:

AG0011MN

Chemical Name:

1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-ethyl 1-(phenylmethyl) ester

CAS Number:

1363166-26-0

Molecular Formula:

C19H27NO4

Molecular Weight:

333.4220

MDL Number:

MFCD21641318

IUPAC Name:

1-O-benzyl 3-O-ethyl 3-propan-2-ylpiperidine-1,3-dicarboxylate

InChI:

InChI=1S/C19H27NO4/c1-4-23-17(21)19(15(2)3)11-8-12-20(14-19)18(22)24-13-16-9-6-5-7-10-16/h5-7,9-10,15H,4,8,11-14H2,1-3H3

InChI Key:

XEBWIULVRFZVDT-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)OCc1ccccc1)C(C)C

Complexity:

431

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

333.428g/mol

Monoisotopic Mass:

333.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5