2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine

C16H20FNO2 — CID 67869799

IUPAC2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1cccc(C2=CCNC(CCC3OCCO3)C2)c1
InChIInChI=1S/C16H20FNO2/c17-14-3-1-2-12(10-14)13-6-7-18-15(11-13)4-5-16-19-8-9-20-16/h1-3,6,10,15-16,18H,4-5,7-9,11H2
InChIKeyNSZKWSLZTFCQLN-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine

2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 67869799) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID67869799
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1cccc(C2=CCNC(CCC3OCCO3)C2)c1
InChIInChI=1S/C16H20FNO2/c17-14-3-1-2-12(10-14)13-6-7-18-15(11-13)4-5-16-19-8-9-20-16/h1-3,6,10,15-16,18H,4-5,7-9,11H2
InChIKeyNSZKWSLZTFCQLN-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine (CID 67869799) is 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine is Fc1cccc(C2=CCNC(CCC3OCCO3)C2)c1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is NSZKWSLZTFCQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-3-1-2-12(10-14)13-6-7-18-15(11-13)4-5-16-19-8-9-20-16/h1-3,6,10,15-16,18H,4-5,7-9,11H2.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 277.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 67869799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).