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1171173-82-2 | Piperidine, 3-[(2-methoxy-5-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1171173-82-2 Catalog No: AG000DR2 MDL No:
Product Description
Catalog Number:
AG000DR2
Chemical Name:
Piperidine, 3-[(2-methoxy-5-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1171173-82-2
Molecular Formula:
C14H22ClNO
Molecular Weight:
255.7836
IUPAC Name:
3-[(2-methoxy-5-methylphenyl)methyl]piperidine;hydrochloride
InChI:
InChI=1S/C14H21NO.ClH/c1-11-5-6-14(16-2)13(8-11)9-12-4-3-7-15-10-12;/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3;1H
InChI Key:
UJSBRUVRXJVGOX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC1CCCNC1)C.Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.786g/mol
Monoisotopic Mass:
255.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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