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4- (4-Fluorophenoxy) piperidine

CAT: 0127-PC101043-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC101043-01Size:100 mg
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CAS Number
3413-28-3
MDL Number
MFCD04115015
Purity
97%
Smiles
FC1=CC=C(OC2CCNCC2)C=C1

Chemical Information

4-(4-Fluorophenoxy)piperidine
CAS Number3413-28-3
PubChem CID3734896
IUPAC Name4-(4-fluorophenoxy)piperidine
Molecular FormulaC11H14FNO
Molecular Weight195.23
XLogP2.1
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity163
SMILES
C1CNCCC1OC2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKey
QUPXFCLFBNUVGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Fluorophenoxy)piperidine
CAS: 3413-28-3
CID: 3734896
Formula: C11H14FNO
MW: 195.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass195.105942232
Monoisotopic Mass195.105942232
Topological Polar Surface Area21.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes