4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile

C15H19FN2O — CID 62355947

IUPAC4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CN2CCCC(CCO)C2)c1
InChIInChI=1S/C15H19FN2O/c16-15-4-3-13(9-17)8-14(15)11-18-6-1-2-12(10-18)5-7-19/h3-4,8,12,19H,1-2,5-7,10-11H2
InChIKeyHXMFNEGXEBYHOW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.29
Rot. Bonds4

About 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile

4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 62355947) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
PubChem CID62355947
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CN2CCCC(CCO)C2)c1
InChIInChI=1S/C15H19FN2O/c16-15-4-3-13(9-17)8-14(15)11-18-6-1-2-12(10-18)5-7-19/h3-4,8,12,19H,1-2,5-7,10-11H2
InChIKeyHXMFNEGXEBYHOW-UHFFFAOYSA-N
XLogP2.29
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 43403794
4-fluoro-3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]benzonitrile
CID 36800430
3-[(3-aminopiperidin-1-yl)methyl]-4-fluorobenzonitrile
CID 61297606
4-fluoro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 61205906
4-fluoro-3-[[3-(phenoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86972233
3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
CID 99943301
3-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-4-fluorobenzonitrile
CID 79411069
4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]benzonitrile
CID 61224808
2-[1-[(5-cyano-2-fluorophenyl)methyl]azetidin-3-yl]acetic acid
CID 64615910
4-fluoro-3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103657062
4-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113254203
1-[(5-cyano-2-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 48939988

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile (CID 62355947) is 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(F)c(CN2CCCC(CCO)C2)c1.
What is the InChIKey of 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is HXMFNEGXEBYHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-15-4-3-13(9-17)8-14(15)11-18-6-1-2-12(10-18)5-7-19/h3-4,8,12,19H,1-2,5-7,10-11H2.
What are the key properties of 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 62355947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).