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1353960-20-9 | [(1-Benzyl-piperidin-4-ylmethyl)-amino]-acetic acid
CAS No: 1353960-20-9 Catalog No: AG01F8RG MDL No:
Product Description
Catalog Number:
AG01F8RG
Chemical Name:
[(1-Benzyl-piperidin-4-ylmethyl)-amino]-acetic acid
CAS Number:
1353960-20-9
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
2-[(1-benzylpiperidin-4-yl)methylamino]acetic acid
InChI:
InChI=1S/C15H22N2O2/c18-15(19)11-16-10-13-6-8-17(9-7-13)12-14-4-2-1-3-5-14/h1-5,13,16H,6-12H2,(H,18,19)
InChI Key:
YAKYJJYQSOEHHA-UHFFFAOYSA-N
SMILES:
OC(=O)CNCC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
269
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:
2
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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