3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine

C14H17F3N2O2 — CID 170947892

IUPAC3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESFC(F)(F)C1CCNC(c2ncccc2C2OCCO2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-3-5-18-11(8-9)12-10(2-1-4-19-12)13-20-6-7-21-13/h1-2,4,9,11,13,18H,3,5-8H2
InChIKeyYMHGYXSHEMWQDB-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.73
Rot. Bonds2

About 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine

3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine (PubChem CID 170947892) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine
PubChem CID170947892
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESFC(F)(F)C1CCNC(c2ncccc2C2OCCO2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-3-5-18-11(8-9)12-10(2-1-4-19-12)13-20-6-7-21-13/h1-2,4,9,11,13,18H,3,5-8H2
InChIKeyYMHGYXSHEMWQDB-UHFFFAOYSA-N
XLogP2.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine (CID 170947892) is 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine is FC(F)(F)C1CCNC(c2ncccc2C2OCCO2)C1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
The InChIKey is YMHGYXSHEMWQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-3-5-18-11(8-9)12-10(2-1-4-19-12)13-20-6-7-21-13/h1-2,4,9,11,13,18H,3,5-8H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine?
3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine has a molecular weight of 302.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-2-[4-(trifluoromethyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 170947892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).