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1170067-75-0 | Piperidine, 2-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]-, hydrochloride (1:1)
CAS No: 1170067-75-0 Catalog No: AG000DIQ MDL No:
Product Description
Catalog Number:
AG000DIQ
Chemical Name:
Piperidine, 2-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]-, hydrochloride (1:1)
CAS Number:
1170067-75-0
Molecular Formula:
C14H19ClF3NO
Molecular Weight:
309.7550
IUPAC Name:
2-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
InChI:
InChI=1S/C14H18F3NO.ClH/c1-19-13-8-10(6-11(9-13)14(15,16)17)7-12-4-2-3-5-18-12;/h6,8-9,12,18H,2-5,7H2,1H3;1H
InChI Key:
SZPATKBWMXFFPZ-UHFFFAOYSA-N
SMILES:
COc1cc(CC2CCCCN2)cc(c1)C(F)(F)F.Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.757g/mol
Monoisotopic Mass:
309.111g/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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