3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine

C12H17F3N2 — CID 162587231

IUPAC3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CNCC(CC2CCNCC2)=C1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)11-6-10(7-17-8-11)5-9-1-3-16-4-2-9/h6,8-9,16-17H,1-5,7H2
InChIKeyHWVBAXJSTLPMCY-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.35
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine

3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 162587231) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID162587231
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CNCC(CC2CCNCC2)=C1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)11-6-10(7-17-8-11)5-9-1-3-16-4-2-9/h6,8-9,16-17H,1-5,7H2
InChIKeyHWVBAXJSTLPMCY-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine (CID 162587231) is 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CNCC(CC2CCNCC2)=C1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is HWVBAXJSTLPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c13-12(14,15)11-6-10(7-17-8-11)5-9-1-3-16-4-2-9/h6,8-9,16-17H,1-5,7H2.
What are the key properties of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine?
3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 246.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 162587231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).