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132884-54-9 | Benzoic acid, 4-(1-piperidinyl)-, butyl ester
CAS No: 132884-54-9 Catalog No: AG0011BY MDL No:
Product Description
Catalog Number:
AG0011BY
Chemical Name:
Benzoic acid, 4-(1-piperidinyl)-, butyl ester
CAS Number:
132884-54-9
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
butyl 4-piperidin-1-ylbenzoate
InChI:
InChI=1S/C16H23NO2/c1-2-3-13-19-16(18)14-7-9-15(10-8-14)17-11-5-4-6-12-17/h7-10H,2-6,11-13H2,1H3
InChI Key:
MYFPWZFFPQGSFM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccc(cc1)N1CCCCC1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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