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1002359-82-1 | 1-Piperidinecarboxylic acid, 3-[(dimethylamino)methyl]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1002359-82-1 Catalog No: AG0001BF MDL No:
Product Description
Catalog Number:
AG0001BF
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(dimethylamino)methyl]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1002359-82-1
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
IUPAC Name:
tert-butyl (3R)-3-[(dimethylamino)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-8-6-7-11(10-15)9-14(4)5/h11H,6-10H2,1-5H3/t11-/m1/s1
InChI Key:
JGMMNOYMEULLTJ-LLVKDONJSA-N
SMILES:
CN(C[C@H]1CCCN(C1)C(=O)OC(C)(C)C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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