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89805-14-1 | 4-Piperidinamine, N-(4-hydroxy-5-phenoxypentyl)-1-(1-oxobutyl)-
CAS No: 89805-14-1 Catalog No: AG003ZHP MDL No:
Product Description
Catalog Number:
AG003ZHP
Chemical Name:
4-Piperidinamine, N-(4-hydroxy-5-phenoxypentyl)-1-(1-oxobutyl)-
CAS Number:
89805-14-1
Molecular Formula:
C20H32N2O3
Molecular Weight:
348.4797
IUPAC Name:
1-[4-[(4-hydroxy-5-phenoxypentyl)amino]piperidin-1-yl]butan-1-one
InChI:
InChI=1S/C20H32N2O3/c1-2-7-20(24)22-14-11-17(12-15-22)21-13-6-8-18(23)16-25-19-9-4-3-5-10-19/h3-5,9-10,17-18,21,23H,2,6-8,11-16H2,1H3
InChI Key:
PSDXMSNAKSCDJW-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1CCC(CC1)NCCCC(COc1ccccc1)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.241g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.487g/mol
Monoisotopic Mass:
348.241g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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