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1353964-18-7 | [4-(Benzyl-methyl-amino)-piperidin-1-yl]-acetic acid
CAS No: 1353964-18-7 Catalog No: AG01F8HY MDL No:
Product Description
Catalog Number:
AG01F8HY
Chemical Name:
[4-(Benzyl-methyl-amino)-piperidin-1-yl]-acetic acid
CAS Number:
1353964-18-7
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
2-[4-[benzyl(methyl)amino]piperidin-1-yl]acetic acid
InChI:
InChI=1S/C15H22N2O2/c1-16(11-13-5-3-2-4-6-13)14-7-9-17(10-8-14)12-15(18)19/h2-6,14H,7-12H2,1H3,(H,18,19)
InChI Key:
IKFKQDMIGPADPG-UHFFFAOYSA-N
SMILES:
CN(C1CCN(CC1)CC(=O)O)Cc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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