Name: Name:1-Piperidinecarboxylic acid, 5-(hydroxymethyl)-2-methyl-, 1,1-dimethylethyl ester, (2S,5R)-
Brand: Angene
SKU: AG000398
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 5-(hydroxymethyl)-2-methyl-, 1,1-dimethylethyl ester, (2S,5R)-

CAS No.:

1009377-06-3

Catalog Number:

AG000398

Molecular Formula:

C12H23NO3

Molecular Weight:

229.3159

Catalog Number:

AG000398

Chemical Name:

1-Piperidinecarboxylic acid, 5-(hydroxymethyl)-2-methyl-, 1,1-dimethylethyl ester, (2S,5R)-

CAS Number:

1009377-06-3

Molecular Formula:

C12H23NO3

Molecular Weight:

229.3159

IUPAC Name:

tert-butyl (2S,5R)-5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate

InChI:

InChI=1S/C12H23NO3/c1-9-5-6-10(8-14)7-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10+/m0/s1

InChI Key:

VOQQCJIHTNEJEK-VHSXEESVSA-N

SMILES:

OC[C@@H]1CC[C@@H](N(C1)C(=O)OC(C)(C)C)C

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.32g/mol

Monoisotopic Mass:

229.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6