2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine

C18H19F3N2 — CID 110249262

IUPAC2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCN1CCCC(c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C18H19F3N2/c1-23-10-4-6-14(12-23)17-9-3-8-16(22-17)13-5-2-7-15(11-13)18(19,20)21/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeyQMZFULKHSQHCKF-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.58
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine

2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 110249262) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID110249262
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCN1CCCC(c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C18H19F3N2/c1-23-10-4-6-14(12-23)17-9-3-8-16(22-17)13-5-2-7-15(11-13)18(19,20)21/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeyQMZFULKHSQHCKF-UHFFFAOYSA-N
XLogP4.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine (CID 110249262) is 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine is CN1CCCC(c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is QMZFULKHSQHCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c1-23-10-4-6-14(12-23)17-9-3-8-16(22-17)13-5-2-7-15(11-13)18(19,20)21/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine?
2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 320.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 110249262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).