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82212-04-2 | Piperidine, 4-(2-methoxyphenyl)-, hydrochloride
CAS No: 82212-04-2 Catalog No: AG0050D9 MDL No:MFCD02178920
Product Description
Catalog Number:
AG0050D9
Chemical Name:
Piperidine, 4-(2-methoxyphenyl)-, hydrochloride
CAS Number:
82212-04-2
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
MDL Number:
MFCD02178920
IUPAC Name:
4-(2-methoxyphenyl)piperidine;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;/h2-5,10,13H,6-9H2,1H3;1H
InChI Key:
NMYBDSDZFMDKAC-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1CCNCC1.Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT₂C agonists. | Bioorganic & medicinal chemistry letters 20120401 |
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