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89805-13-0 | 4-Piperidinamine, N-(4-hydroxy-5-phenoxypentyl)-1-(1-oxopropyl)-
CAS No: 89805-13-0 Catalog No: AG003ZHQ MDL No:
Product Description
Catalog Number:
AG003ZHQ
Chemical Name:
4-Piperidinamine, N-(4-hydroxy-5-phenoxypentyl)-1-(1-oxopropyl)-
CAS Number:
89805-13-0
Molecular Formula:
C19H30N2O3
Molecular Weight:
334.4531
IUPAC Name:
1-[4-[(4-hydroxy-5-phenoxypentyl)amino]piperidin-1-yl]propan-1-one
InChI:
InChI=1S/C19H30N2O3/c1-2-19(23)21-13-10-16(11-14-21)20-12-6-7-17(22)15-24-18-8-4-3-5-9-18/h3-5,8-9,16-17,20,22H,2,6-7,10-15H2,1H3
InChI Key:
JYGIUQWRQGNIOG-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCC(CC1)NCCCC(COc1ccccc1)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.226g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.46g/mol
Monoisotopic Mass:
334.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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