Name: Name:1,4-Piperidinedicarboxylic acid, 4-(cyanomethyl)-, 1-(1,1-dimethylethyl) 4-ethyl ester
Brand: Angene
SKU: AG00DI4P
Rating: 90 (10 reviews)

1,4-Piperidinedicarboxylic acid, 4-(cyanomethyl)-, 1-(1,1-dimethylethyl) 4-ethyl ester

CAS No.:

495414-81-8

Catalog Number:

AG00DI4P

Molecular Formula:

C15H24N2O4

Molecular Weight:

296.3621

Catalog Number:

AG00DI4P

Chemical Name:

1,4-Piperidinedicarboxylic acid, 4-(cyanomethyl)-, 1-(1,1-dimethylethyl) 4-ethyl ester

CAS Number:

495414-81-8

Molecular Formula:

C15H24N2O4

Molecular Weight:

296.3621

MDL Number:

MFCD11977499

IUPAC Name:

1-O-tert-butyl 4-O-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate

InChI:

InChI=1S/C15H24N2O4/c1-5-20-12(18)15(6-9-16)7-10-17(11-8-15)13(19)21-14(2,3)4/h5-8,10-11H2,1-4H3

InChI Key:

BLRYELPWMVHGPZ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1(CC#N)CCN(CC1)C(=O)OC(C)(C)C

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.367g/mol

Monoisotopic Mass:

296.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3