Name: Name:1-Piperazinecarboxylic acid, 4-[2-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-4-pyridinyl]-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001KCI
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-[2-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-4-pyridinyl]-, 1,1-dimethylethyl ester

CAS No.:

1449117-76-3

Catalog Number:

AG001KCI

Molecular Formula:

C18H25N5O3

Molecular Weight:

359.4228

Catalog Number:

AG001KCI

Chemical Name:

1-Piperazinecarboxylic acid, 4-[2-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-4-pyridinyl]-, 1,1-dimethylethyl ester

CAS Number:

1449117-76-3

Molecular Formula:

C18H25N5O3

Molecular Weight:

359.4228

MDL Number:

MFCD23704674

IUPAC Name:

tert-butyl 4-[2-[4-(hydroxymethyl)pyrazol-1-yl]pyridin-4-yl]piperazine-1-carboxylate

InChI:

InChI=1S/C18H25N5O3/c1-18(2,3)26-17(25)22-8-6-21(7-9-22)15-4-5-19-16(10-15)23-12-14(13-24)11-20-23/h4-5,10-12,24H,6-9,13H2,1-3H3

InChI Key:

SGKFYPZPKOXSKM-UHFFFAOYSA-N

SMILES:

OCc1cnn(c1)c1nccc(c1)N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

476

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.196g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

359.43g/mol

Monoisotopic Mass:

359.196g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1