2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile

C13H15FN2O2 — CID 114016295

IUPAC2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2(O)CCNCC2)cc1F
InChIInChI=1S/C13H15FN2O2/c14-12-7-11(2-1-10(12)8-15)18-9-13(17)3-5-16-6-4-13/h1-2,7,16-17H,3-6,9H2
InChIKeyHZNUDDGCAHAFGN-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.19
Rot. Bonds3

About 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile

2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile (PubChem CID 114016295) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile
PubChem CID114016295
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCC2(O)CCNCC2)cc1F
InChIInChI=1S/C13H15FN2O2/c14-12-7-11(2-1-10(12)8-15)18-9-13(17)3-5-16-6-4-13/h1-2,7,16-17H,3-6,9H2
InChIKeyHZNUDDGCAHAFGN-UHFFFAOYSA-N
XLogP1.19
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(3-hydroxypropoxy)benzonitrile
CID 78961235
4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
CID 81042741
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
4-[(4-hydroxypiperidin-4-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468045
2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78952816
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
2-fluoro-4-(4-methoxybutoxy)benzonitrile
CID 115777010
4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-2-fluorobenzonitrile
CID 166417057
4-[(3-ethylphenoxy)methyl]piperidin-4-ol
CID 81043219
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
4-(2-cyclopentyl-2-oxoethoxy)-2-fluorobenzonitrile
CID 113241516

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile?
The IUPAC name of 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile (CID 114016295) is 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile is N#Cc1ccc(OCC2(O)CCNCC2)cc1F.
What is the InChIKey of 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile?
The InChIKey is HZNUDDGCAHAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-12-7-11(2-1-10(12)8-15)18-9-13(17)3-5-16-6-4-13/h1-2,7,16-17H,3-6,9H2.
What are the key properties of 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile?
2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile has a molecular weight of 250.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 114016295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).