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1172955-97-3 | Piperidine, 3-[(4-fluoro-2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 1172955-97-3 Catalog No: AG000E1X MDL No:
Product Description
Catalog Number:
AG000E1X
Chemical Name:
Piperidine, 3-[(4-fluoro-2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1172955-97-3
Molecular Formula:
C13H19ClFN
Molecular Weight:
243.7481
IUPAC Name:
3-[(4-fluoro-2-methylphenyl)methyl]piperidine;hydrochloride
InChI:
InChI=1S/C13H18FN.ClH/c1-10-7-13(14)5-4-12(10)8-11-3-2-6-15-9-11;/h4-5,7,11,15H,2-3,6,8-9H2,1H3;1H
InChI Key:
FGDYMKYYAORCCQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C)CC1CCCNC1.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.75g/mol
Monoisotopic Mass:
243.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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