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17824-87-2 | 1-Piperidinepropanoic acid, β-phenyl-, ethyl ester, hydrochloride (1:1)
CAS No: 17824-87-2 Catalog No: AG0025VJ MDL No:
Product Description
Catalog Number:
AG0025VJ
Chemical Name:
1-Piperidinepropanoic acid, β-phenyl-, ethyl ester, hydrochloride (1:1)
CAS Number:
17824-87-2
Molecular Formula:
C16H24ClNO2
Molecular Weight:
297.8203
IUPAC Name:
ethyl 3-phenyl-3-piperidin-1-ylpropanoate
InChI:
InChI=1S/C16H23NO2/c1-2-19-16(18)13-15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3
InChI Key:
WTRSETHGBYJVQN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1ccccc1)N1CCCCC1.Cl
Properties
Complexity:
268
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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