Name: Name:1-Piperazinecarboxylic acid, 4-(1-cyano-1-methylethyl)-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00IF7M
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-(1-cyano-1-methylethyl)-,1,1-dimethylethyl ester

CAS No.:

885698-82-8

Catalog Number:

AG00IF7M

Molecular Formula:

C13H23N3O2

Molecular Weight:

253.3406

Catalog Number:

AG00IF7M

Chemical Name:

1-Piperazinecarboxylic acid, 4-(1-cyano-1-methylethyl)-,1,1-dimethylethyl ester

CAS Number:

885698-82-8

Molecular Formula:

C13H23N3O2

Molecular Weight:

253.3406

MDL Number:

MFCD18334632

IUPAC Name:

tert-butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate

InChI:

InChI=1S/C13H23N3O2/c1-12(2,3)18-11(17)15-6-8-16(9-7-15)13(4,5)10-14/h6-9H2,1-5H3

InChI Key:

AJMANAVUYHGZCV-UHFFFAOYSA-N

SMILES:

N#CC(N1CCN(CC1)C(=O)OC(C)(C)C)(C)C

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.346g/mol

Monoisotopic Mass:

253.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3