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179388-65-9 | 1-Piperidinepropanol, α-[([1,1'-biphenyl]-2-yloxy)methyl]-γ-imino-, hydrochloride (1:1)
CAS No: 179388-65-9 Catalog No: AG0026ZP MDL No:
Product Description
Catalog Number:
AG0026ZP
Chemical Name:
1-Piperidinepropanol, α-[([1,1'-biphenyl]-2-yloxy)methyl]-γ-imino-, hydrochloride (1:1)
CAS Number:
179388-65-9
Molecular Formula:
C21H27ClN2O2
Molecular Weight:
374.9043
IUPAC Name:
4-imino-1-(2-phenylphenoxy)-4-piperidin-1-ylbutan-2-ol;hydrochloride
InChI:
InChI=1S/C21H26N2O2.ClH/c22-21(23-13-7-2-8-14-23)15-18(24)16-25-20-12-6-5-11-19(20)17-9-3-1-4-10-17;/h1,3-6,9-12,18,22,24H,2,7-8,13-16H2;1H
InChI Key:
WWHGFIXWBLHHQB-UHFFFAOYSA-N
SMILES:
OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
374.909g/mol
Monoisotopic Mass:
374.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structure activity relationships of a series of buspirone analogs at alpha-1 adrenoceptors: further evidence that rat aorta alpha-1 adrenoceptors are of the alpha-1D-subtype. | The Journal of pharmacology and experimental therapeutics 19960701 |
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