5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile

C13H15FN2O — CID 63673481

IUPAC5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile
SMILESN#Cc1cc(F)ccc1OCC1CCCNC1
InChIInChI=1S/C13H15FN2O/c14-12-3-4-13(11(6-12)7-15)17-9-10-2-1-5-16-8-10/h3-4,6,10,16H,1-2,5,8-9H2
InChIKeyODTUFWKQIOAWDZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.08
Rot. Bonds3

About 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile

5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile (PubChem CID 63673481) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile
PubChem CID63673481
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile
SMILESN#Cc1cc(F)ccc1OCC1CCCNC1
InChIInChI=1S/C13H15FN2O/c14-12-3-4-13(11(6-12)7-15)17-9-10-2-1-5-16-8-10/h3-4,6,10,16H,1-2,5,8-9H2
InChIKeyODTUFWKQIOAWDZ-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
5-fluoro-2-[(3S)-piperidin-3-yl]oxybenzonitrile
CID 66248002
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
3-fluoro-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 62372817
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile?
The IUPAC name of 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile (CID 63673481) is 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile?
The canonical SMILES for 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile is N#Cc1cc(F)ccc1OCC1CCCNC1.
What is the InChIKey of 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile?
The InChIKey is ODTUFWKQIOAWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-12-3-4-13(11(6-12)7-15)17-9-10-2-1-5-16-8-10/h3-4,6,10,16H,1-2,5,8-9H2.
What are the key properties of 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile?
5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile is sourced from PubChem (CID 63673481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).