4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile

C14H15F3N2O — CID 61283600

IUPAC4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile
SMILESCN1CCC(Oc2ccc(C#N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3N2O/c1-19-6-4-11(5-7-19)20-12-3-2-10(9-18)13(8-12)14(15,16)17/h2-3,8,11H,4-7H2,1H3
InChIKeyZOXABFCLDNPQFE-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.05
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile

4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile (PubChem CID 61283600) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile
PubChem CID61283600
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile
SMILESCN1CCC(Oc2ccc(C#N)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3N2O/c1-19-6-4-11(5-7-19)20-12-3-2-10(9-18)13(8-12)14(15,16)17/h2-3,8,11H,4-7H2,1H3
InChIKeyZOXABFCLDNPQFE-UHFFFAOYSA-N
XLogP3.05
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile (CID 61283600) is 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile is CN1CCC(Oc2ccc(C#N)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
The InChIKey is ZOXABFCLDNPQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-19-6-4-11(5-7-19)20-12-3-2-10(9-18)13(8-12)14(15,16)17/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)oxy-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 61283600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).