Home Fluorides 1004618-85-2
1004618-85-2,MFCD28109000
Catalog No.:AA0001YJ
1004618-85-2 | Piperidine, 4-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)
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100mg
97%
in stock  
$108.00
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250mg
97%
in stock  
$175.00
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Technical Information
Catalog Number:
AA0001YJ
Chemical Name:
Piperidine, 4-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1)
CAS Number:
1004618-85-2
Molecular Formula:
C12H15ClF3NO
Molecular Weight:
281.7018
MDL Number:
MFCD28109000
IUPAC Name:
4-[4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
InChI:
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-4,10,16H,5-8H2;1H
InChI Key:
XLVUSJGPLOCSCC-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)C1CCNCC1)(F)F.Cl
Properties
Computed Properties
 
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.079g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.703g/mol
Monoisotopic Mass:
281.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
4-(4-(Trifluoromethoxy)phenyl)piperidine hydrochloride 
1004618-85-2 
AKOS025146603 
CS-W005931 
AK164092 
AS-44081 
ST24042916 
Z2217033061 
Piperidine, 4-[4-(trifluoromethoxy)phenyl]-, hydrochloride (1:1) 
180160-91-2 
4-(4-(trifluoromethoxy)phenyl)piperidine hcl 
4-[4-(Trifluoromethoxy)phenyl]piperidine HCl 
4-[4-(trifluoromethoxy)phenyl]piperidine hydrochloride 
C12H14F3NO.HCl 
SCHEMBL4893644 
KS-00000SQO 
2470AJ 
MFCD28109000 
Literature
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