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117139-95-4 | 1-Piperidinecarboxylic acid, 2,6-dimethyl-, phenylmethyl ester
CAS No: 117139-95-4 Catalog No: AG000DSV MDL No:
Product Description
Catalog Number:
AG000DSV
Chemical Name:
1-Piperidinecarboxylic acid, 2,6-dimethyl-, phenylmethyl ester
CAS Number:
117139-95-4
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
benzyl 2,6-dimethylpiperidine-1-carboxylate
InChI:
InChI=1S/C15H21NO2/c1-12-7-6-8-13(2)16(12)15(17)18-11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChI Key:
OWDOUERXHFTHJS-UHFFFAOYSA-N
SMILES:
CC1CCCC(N1C(=O)OCc1ccccc1)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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