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192872-58-5 | Piperidine, 2-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 192872-58-5 Catalog No: AG002GF9 MDL No:MFCD08277212
Product Description
Catalog Number:
AG002GF9
Chemical Name:
Piperidine, 2-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
192872-58-5
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD08277212
IUPAC Name:
2-benzylpiperidine;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;/h1-3,6-7,12-13H,4-5,8-10H2;1H
InChI Key:
QJPBYKFOQQDQSA-UHFFFAOYSA-N
SMILES:
C1CCC(NC1)Cc1ccccc1.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate. | Journal of medicinal chemistry 20070531 |
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