Name: Name:tert-Butyl 4-cyano-4-(4-fluorobenzyl)piperidine-1-carboxylate
Brand: Angene
SKU: AG00IFQN
Rating: 90 (10 reviews)

tert-Butyl 4-cyano-4-(4-fluorobenzyl)piperidine-1-carboxylate

CAS No.:

894769-77-8

Catalog Number:

AG00IFQN

Molecular Formula:

C18H23FN2O2

Molecular Weight:

318.3858

Catalog Number:

AG00IFQN

Chemical Name:

tert-Butyl 4-cyano-4-(4-fluorobenzyl)piperidine-1-carboxylate

CAS Number:

894769-77-8

Molecular Formula:

C18H23FN2O2

Molecular Weight:

318.3858

MDL Number:

MFCD11849799

IUPAC Name:

tert-butyl 4-cyano-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylate

InChI:

InChI=1S/C18H23FN2O2/c1-17(2,3)23-16(22)21-10-8-18(13-20,9-11-21)12-14-4-6-15(19)7-5-14/h4-7H,8-12H2,1-3H3

InChI Key:

LKIRYAYVQPULQI-UHFFFAOYSA-N

SMILES:

N#CC1(CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(cc1)F

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.392g/mol

Monoisotopic Mass:

318.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2