Name: Name:tert-butyl 3-(chloromethyl)-3-cyanopiperidine-1-carboxylate
Brand: Angene
SKU: AG01ELUS
Rating: 90 (10 reviews)

tert-butyl 3-(chloromethyl)-3-cyanopiperidine-1-carboxylate

CAS No.:

1881563-53-6

Catalog Number:

AG01ELUS

Molecular Formula:

C12H19ClN2O2

Molecular Weight:

258.7445

Catalog Number:

AG01ELUS

Chemical Name:

tert-butyl 3-(chloromethyl)-3-cyanopiperidine-1-carboxylate

CAS Number:

1881563-53-6

Molecular Formula:

C12H19ClN2O2

Molecular Weight:

258.7445

MDL Number:

MFCD30316143

IUPAC Name:

tert-butyl 3-(chloromethyl)-3-cyanopiperidine-1-carboxylate

InChI:

InChI=1S/C12H19ClN2O2/c1-11(2,3)17-10(16)15-6-4-5-12(7-13,8-14)9-15/h4-7,9H2,1-3H3

InChI Key:

YBKKWYCVKOLVBZ-UHFFFAOYSA-N

SMILES:

ClCC1(C#N)CCCN(C1)C(=O)OC(C)(C)C

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.746g/mol

Monoisotopic Mass:

258.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7