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31053-03-9 | Piperidine, 1-(4-Methylphenyl)-
CAS No: 31053-03-9 Catalog No: AG00320P MDL No:
Product Description
Catalog Number:
AG00320P
Chemical Name:
Piperidine, 1-(4-Methylphenyl)-
CAS Number:
31053-03-9
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
1-(4-methylphenyl)piperidine
InChI:
InChI=1S/C12H17N/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3
InChI Key:
SEKVDGJLBQJSTO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1CCCCC1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR of tolylamine 5-HT6 antagonists. | Bioorganic & medicinal chemistry letters 20090501 |
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