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1353980-90-1 | [(1-Benzyl-piperidin-3-ylmethyl)-amino]-acetic acid
CAS No: 1353980-90-1 Catalog No: AG01F8S1 MDL No:
Product Description
Catalog Number:
AG01F8S1
Chemical Name:
[(1-Benzyl-piperidin-3-ylmethyl)-amino]-acetic acid
CAS Number:
1353980-90-1
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
2-[(1-benzylpiperidin-3-yl)methylamino]acetic acid
InChI:
InChI=1S/C15H22N2O2/c18-15(19)10-16-9-14-7-4-8-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2,(H,18,19)
InChI Key:
IFEIQTGDRPSKFT-UHFFFAOYSA-N
SMILES:
OC(=O)CNCC1CCCN(C1)Cc1ccccc1
Properties
Complexity:
277
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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