4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile

C22H25FN2O — CID 142243331

IUPAC4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile
SMILESN#Cc1ccc(C(CCN2CCCCC2)c2ccc(F)cc2)c(CO)c1
InChIInChI=1S/C22H25FN2O/c23-20-7-5-18(6-8-20)22(10-13-25-11-2-1-3-12-25)21-9-4-17(15-24)14-19(21)16-26/h4-9,14,22,26H,1-3,10-13,16H2
InChIKeyUWWAYQDGTPVIHK-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.20
Rot. Bonds6

About 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile

4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile (PubChem CID 142243331) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile
PubChem CID142243331
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile
SMILESN#Cc1ccc(C(CCN2CCCCC2)c2ccc(F)cc2)c(CO)c1
InChIInChI=1S/C22H25FN2O/c23-20-7-5-18(6-8-20)22(10-13-25-11-2-1-3-12-25)21-9-4-17(15-24)14-19(21)16-26/h4-9,14,22,26H,1-3,10-13,16H2
InChIKeyUWWAYQDGTPVIHK-UHFFFAOYSA-N
XLogP4.20
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzonitrile
CID 111109176
4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile
CID 143183515
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
O-[1-(4-cyano-2-fluorophenyl)-3-phenylpropyl] pyrrolidine-1-carbothioate
CID 134960606
(4-fluorophenyl)-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methanol
CID 111434911
1-[2-[2-[2-(4-fluorophenyl)ethynyl]-4-nitrophenyl]ethyl]piperidine
CID 178144161
3-(2-piperidin-1-ylethylamino)benzonitrile
CID 102815794
4-[5-(4-cyanophenyl)-1,5-bis(4-fluorophenyl)-3-oxopentyl]benzonitrile
CID 67577237
4-fluoro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 43403794
4-[1-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)propyl]benzonitrile
CID 67791640
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol
CID 57177916

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile?
The IUPAC name of 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile (CID 142243331) is 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile?
The canonical SMILES for 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile is N#Cc1ccc(C(CCN2CCCCC2)c2ccc(F)cc2)c(CO)c1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile?
The InChIKey is UWWAYQDGTPVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-20-7-5-18(6-8-20)22(10-13-25-11-2-1-3-12-25)21-9-4-17(15-24)14-19(21)16-26/h4-9,14,22,26H,1-3,10-13,16H2.
What are the key properties of 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile?
4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile has a molecular weight of 352.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 142243331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).