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1391417-03-0 | Piperidine, 2-(2-methoxyphenyl)-, hydrochloride (1:1), (2S)-
CAS No: 1391417-03-0 Catalog No: AG001ADU MDL No:MFCD12910640
Product Description
Catalog Number:
AG001ADU
Chemical Name:
Piperidine, 2-(2-methoxyphenyl)-, hydrochloride (1:1), (2S)-
CAS Number:
1391417-03-0
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
MDL Number:
MFCD12910640
IUPAC Name:
(2S)-2-(2-methoxyphenyl)piperidine;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;/h2-3,6,8,11,13H,4-5,7,9H2,1H3;1H/t11-;/m0./s1
InChI Key:
PUSGLZAYZOPJCB-MERQFXBCSA-N
SMILES:
COc1ccccc1[C@@H]1CCCCN1.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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
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