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1353951-40-2 | [4-(Benzyl-ethyl-amino)-piperidin-1-yl]-acetic acid
CAS No: 1353951-40-2 Catalog No: AG01F8RC MDL No:
Product Description
Catalog Number:
AG01F8RC
Chemical Name:
[4-(Benzyl-ethyl-amino)-piperidin-1-yl]-acetic acid
CAS Number:
1353951-40-2
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
2-[4-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
InChI:
InChI=1S/C16H24N2O2/c1-2-18(12-14-6-4-3-5-7-14)15-8-10-17(11-9-15)13-16(19)20/h3-7,15H,2,8-13H2,1H3,(H,19,20)
InChI Key:
UFZDJRQCPWPZAI-UHFFFAOYSA-N
SMILES:
CCN(C1CCN(CC1)CC(=O)O)Cc1ccccc1
Properties
Complexity:
295
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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