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1353978-02-5 | [3-(Benzyl-ethyl-amino)-piperidin-1-yl]-acetic acid
CAS No: 1353978-02-5 Catalog No: AG01F8RY MDL No:
Product Description
Catalog Number:
AG01F8RY
Chemical Name:
[3-(Benzyl-ethyl-amino)-piperidin-1-yl]-acetic acid
CAS Number:
1353978-02-5
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
2-[3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
InChI:
InChI=1S/C16H24N2O2/c1-2-18(11-14-7-4-3-5-8-14)15-9-6-10-17(12-15)13-16(19)20/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,20)
InChI Key:
IOMAZBAETXFPRJ-UHFFFAOYSA-N
SMILES:
CCN(C1CCCN(C1)CC(=O)O)Cc1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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