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124438-69-3 | 4-Piperidinepropanoic acid, 1-(phenylmethyl)-, ethyl ester
CAS No: 124438-69-3 Catalog No: AG000M0I MDL No:
Product Description
Catalog Number:
AG000M0I
Chemical Name:
4-Piperidinepropanoic acid, 1-(phenylmethyl)-, ethyl ester
CAS Number:
124438-69-3
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
ethyl 3-(1-benzylpiperidin-4-yl)propanoate
InChI:
InChI=1S/C17H25NO2/c1-2-20-17(19)9-8-15-10-12-18(13-11-15)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChI Key:
LUSHYPLDRVACQI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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