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199942-74-0 | 1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 199942-74-0 Catalog No: AG002CH2 MDL No:MFCD02683200
Product Description
Catalog Number:
AG002CH2
Chemical Name:
1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
199942-74-0
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
MDL Number:
MFCD02683200
IUPAC Name:
tert-butyl (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3/t10-/m0/s1
InChI Key:
LTVQOFUGXMVESU-JTQLQIEISA-N
SMILES:
OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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