4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine

C20H40FN3 — CID 154670214

IUPAC4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
SMILESCCC(F)C1CN(CCC2CCN(CC)CC2)CCN1CC(C)C
InChIInChI=1S/C20H40FN3/c1-5-19(21)20-16-23(13-14-24(20)15-17(3)4)12-9-18-7-10-22(6-2)11-8-18/h17-20H,5-16H2,1-4H3
InChIKeyWFGWGMDIMPXUNO-UHFFFAOYSA-N
MW341.56 g/mol
LogP3.50
Rot. Bonds8

About 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine

4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine (PubChem CID 154670214) has the molecular formula C20H40FN3 and a molecular weight of 341.56 g/mol. Its IUPAC name is 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
PubChem CID154670214
Molecular FormulaC20H40FN3
Molecular Weight341.56 g/mol
Exact Mass341.32
IUPAC Name4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
SMILESCCC(F)C1CN(CCC2CCN(CC)CC2)CCN1CC(C)C
InChIInChI=1S/C20H40FN3/c1-5-19(21)20-16-23(13-14-24(20)15-17(3)4)12-9-18-7-10-22(6-2)11-8-18/h17-20H,5-16H2,1-4H3
InChIKeyWFGWGMDIMPXUNO-UHFFFAOYSA-N
XLogP3.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine?
The IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine (CID 154670214) is 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine?
The canonical SMILES for 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine is CCC(F)C1CN(CCC2CCN(CC)CC2)CCN1CC(C)C.
What is the InChIKey of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine?
The InChIKey is WFGWGMDIMPXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40FN3/c1-5-19(21)20-16-23(13-14-24(20)15-17(3)4)12-9-18-7-10-22(6-2)11-8-18/h17-20H,5-16H2,1-4H3.
What are the key properties of 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine?
4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine has a molecular weight of 341.56 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 154670214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).