4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile

C15H19FN2O — CID 10777894

IUPAC4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2CCN(CCF)CC2)cc1
InChIInChI=1S/C15H19FN2O/c16-7-10-18-8-5-14(6-9-18)12-19-15-3-1-13(11-17)2-4-15/h1-4,14H,5-10,12H2
InChIKeyWCVQBSQHLZCNCS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.62
Rot. Bonds5

About 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile

4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile (PubChem CID 10777894) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile
PubChem CID10777894
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2CCN(CCF)CC2)cc1
InChIInChI=1S/C15H19FN2O/c16-7-10-18-8-5-14(6-9-18)12-19-15-3-1-13(11-17)2-4-15/h1-4,14H,5-10,12H2
InChIKeyWCVQBSQHLZCNCS-UHFFFAOYSA-N
XLogP2.62
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-benzonitrile
CID 9864749
4-[[1-[(E)-3-(123I)iodoprop-2-enyl]piperidin-4-yl]methoxy](123I)benzonitrile
CID 5461916
Ucl-2138
CID 2994072
4-((1-(3-(Fluoro-18F)propyl)-4-piperidinyl)methoxy)benzonitrile
CID 6918656
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
4-(3-(Dimethylamino)-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)propoxy)benzonitrile
CID 24947377
1-(3-Fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine
CID 128032
4-(Piperidin-4-yloxy)benzonitrile
CID 11241109
4-[2-(Dimethylamino)ethoxy]benzonitrile
CID 546912
3-[4-[2-(Dimethylamino)ethyl]phenoxy-2,6-D2]-N,N-dimethyl-1-propanamine
CID 44407803
1-(3-(4-(Fluoromethyl)phenoxy)propyl)piperidine
CID 44592096
4-[1-(4-Fluoro-benzyl)-piperidin-4-ylmethoxy]-benzonitrile
CID 10805917

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile?
The IUPAC name of 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile (CID 10777894) is 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile?
The canonical SMILES for 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile is N#Cc1ccc(OCC2CCN(CCF)CC2)cc1.
What is the InChIKey of 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile?
The InChIKey is WCVQBSQHLZCNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-7-10-18-8-5-14(6-9-18)12-19-15-3-1-13(11-17)2-4-15/h1-4,14H,5-10,12H2.
What are the key properties of 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile?
4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluoroethyl)piperidin-4-yl]methoxy]benzonitrile is sourced from PubChem (CID 10777894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).