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79987-84-1 | Phenol, 3-(3-piperidinyl)-
CAS No: 79987-84-1 Catalog No: AG0038F4 MDL No:MFCD17486858
Product Description
Catalog Number:
AG0038F4
Chemical Name:
Phenol, 3-(3-piperidinyl)-
CAS Number:
79987-84-1
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD17486858
IUPAC Name:
3-piperidin-3-ylphenol
InChI:
InChI=1S/C11H15NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3,5,7,10,12-13H,2,4,6,8H2
InChI Key:
HYUOAVGLJXTEGX-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C1CCCNC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Radiosynthesis, ex vivo and in vivo evaluation of [11C]preclamol as a partial dopamine D2 agonist radioligand for positron emission tomography. | Synapse (New York, N.Y.) 20060915 |
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