2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine

C16H19F3N4O — CID 175450968

IUPAC2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
SMILESCN1CCC(Oc2cccc(Cn3cc(C(F)(F)F)cn3)n2)CC1
InChIInChI=1S/C16H19F3N4O/c1-22-7-5-14(6-8-22)24-15-4-2-3-13(21-15)11-23-10-12(9-20-23)16(17,18)19/h2-4,9-10,14H,5-8,11H2,1H3
InChIKeyAJNURVREQSQSID-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.82
Rot. Bonds4

About 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine

2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine (PubChem CID 175450968) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
PubChem CID175450968
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
SMILESCN1CCC(Oc2cccc(Cn3cc(C(F)(F)F)cn3)n2)CC1
InChIInChI=1S/C16H19F3N4O/c1-22-7-5-14(6-8-22)24-15-4-2-3-13(21-15)11-23-10-12(9-20-23)16(17,18)19/h2-4,9-10,14H,5-8,11H2,1H3
InChIKeyAJNURVREQSQSID-UHFFFAOYSA-N
XLogP2.82
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine (CID 175450968) is 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine is CN1CCC(Oc2cccc(Cn3cc(C(F)(F)F)cn3)n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The InChIKey is AJNURVREQSQSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-22-7-5-14(6-8-22)24-15-4-2-3-13(21-15)11-23-10-12(9-20-23)16(17,18)19/h2-4,9-10,14H,5-8,11H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine has a molecular weight of 340.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxy-6-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 175450968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).