Name: Name:1-Piperidinecarboxylic acid, 4-(4-pyridinylthio)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001ODE
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-(4-pyridinylthio)-, 1,1-dimethylethyl ester

CAS No.:

155967-58-1

Catalog Number:

AG001ODE

Molecular Formula:

C15H22N2O2S

Molecular Weight:

294.4124

Catalog Number:

AG001ODE

Chemical Name:

1-Piperidinecarboxylic acid, 4-(4-pyridinylthio)-, 1,1-dimethylethyl ester

CAS Number:

155967-58-1

Molecular Formula:

C15H22N2O2S

Molecular Weight:

294.4124

MDL Number:

MFCD07779467

IUPAC Name:

tert-butyl 4-pyridin-4-ylsulfanylpiperidine-1-carboxylate

InChI:

InChI=1S/C15H22N2O2S/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)20-12-4-8-16-9-5-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3

InChI Key:

DBHNVBJYBWAHGX-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)Sc1ccncc1)OC(C)(C)C

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.14g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.413g/mol

Monoisotopic Mass:

294.14g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8