2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile

C15H19FN2O — CID 117096359

IUPAC2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile
SMILESCC(C)N1CCC(Oc2cccc(F)c2C#N)CC1
InChIInChI=1S/C15H19FN2O/c1-11(2)18-8-6-12(7-9-18)19-15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-9H2,1-2H3
InChIKeyAASKXXKMNIDWKM-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.95
Rot. Bonds3

About 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile

2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile (PubChem CID 117096359) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile
PubChem CID117096359
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile
SMILESCC(C)N1CCC(Oc2cccc(F)c2C#N)CC1
InChIInChI=1S/C15H19FN2O/c1-11(2)18-8-6-12(7-9-18)19-15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-9H2,1-2H3
InChIKeyAASKXXKMNIDWKM-UHFFFAOYSA-N
XLogP2.95
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline
CID 166141504
2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile
CID 117096352
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
2-fluoro-6-(4-methylpentan-2-yloxy)benzonitrile
CID 79512851
2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile
CID 117096423
cyclopentanol;2-cyclopentyloxy-6-fluorobenzonitrile;(2-cyclopentyloxy-6-fluorophenyl)methanamine;2,6-difluorobenzonitrile
CID 164953213
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314504
2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxy-8-(trifluoromethyl)quinoline
CID 58948400

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile?
The IUPAC name of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile (CID 117096359) is 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile?
The canonical SMILES for 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile is CC(C)N1CCC(Oc2cccc(F)c2C#N)CC1.
What is the InChIKey of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile?
The InChIKey is AASKXXKMNIDWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(2)18-8-6-12(7-9-18)19-15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-9H2,1-2H3.
What are the key properties of 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile?
2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 117096359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).