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

C14H17F3N2O2 — CID 97316677

IUPAC2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-4-1-5-18-12(11)19-6-2-3-10(9-19)13-20-7-8-21-13/h1,4-5,10,13H,2-3,6-9H2/t10-/m0/s1
InChIKeyLGWSPMIIOLYDTM-JTQLQIEISA-N
MW302.30 g/mol
LogP2.69
Rot. Bonds2

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

2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 97316677) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID97316677
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-4-1-5-18-12(11)19-6-2-3-10(9-19)13-20-7-8-21-13/h1,4-5,10,13H,2-3,6-9H2/t10-/m0/s1
InChIKeyLGWSPMIIOLYDTM-JTQLQIEISA-N
XLogP2.69
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine (CID 97316677) is 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1N1CCC[C@H](C2OCCO2)C1.
What is the InChIKey of 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is LGWSPMIIOLYDTM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-4-1-5-18-12(11)19-6-2-3-10(9-19)13-20-7-8-21-13/h1,4-5,10,13H,2-3,6-9H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 302.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 97316677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).