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124619-69-8 | 2-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS No: 124619-69-8 Catalog No: AG000MH7 MDL No:
Product Description
Catalog Number:
AG000MH7
Chemical Name:
2-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS Number:
124619-69-8
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
methyl 1-benzylpiperidine-2-carboxylate
InChI:
InChI=1S/C14H19NO2/c1-17-14(16)13-9-5-6-10-15(13)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChI Key:
BFVMYXXBFRSMJP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCN1Cc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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