4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile

C16H21FN2O — CID 6918656

IUPAC4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile
SMILESN#Cc1ccc(OCC2CCN(CCC[18F])CC2)cc1
InChIInChI=1S/C16H21FN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h2-5,15H,1,6-11,13H2/i17-1
InChIKeyKSMXCGCEJWKWOX-SJPDSGJFSA-N
MW275.36 g/mol
LogP3.01
Rot. Bonds6

About 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile

4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile (PubChem CID 6918656) has the molecular formula C16H21FN2O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile.

Molecular Properties

Compound Name4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile
PubChem CID6918656
Molecular FormulaC16H21FN2O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile
SMILESN#Cc1ccc(OCC2CCN(CCC[18F])CC2)cc1
InChIInChI=1S/C16H21FN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h2-5,15H,1,6-11,13H2/i17-1
InChIKeyKSMXCGCEJWKWOX-SJPDSGJFSA-N
XLogP3.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-[(E)-3-(123I)iodoprop-2-enyl]piperidin-4-yl]methoxy](123I)benzonitrile
CID 5461916
Ucl-2138
CID 2994072
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 49791889
4-(3-{4-[(R)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 49791890
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-benzonitrile
CID 9864749
4-(3-(Dimethylamino)-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)propoxy)benzonitrile
CID 24947377
4-(Piperidin-4-yloxy)benzonitrile
CID 11241109
4-[2-(Dimethylamino)ethoxy]benzonitrile
CID 546912
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-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile?
The IUPAC name of 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile (CID 6918656) is 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile.
What is the SMILES notation for 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile?
The canonical SMILES for 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile is N#Cc1ccc(OCC2CCN(CCC[18F])CC2)cc1.
What is the InChIKey of 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile?
The InChIKey is KSMXCGCEJWKWOX-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h2-5,15H,1,6-11,13H2/i17-1.
What are the key properties of 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile?
4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile has a molecular weight of 275.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-(18F)fluoropropyl)piperidin-4-yl]methoxy](18F)benzonitrile is sourced from PubChem (CID 6918656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).