3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine

C20H34F6N2O — CID 142768093

IUPAC3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine
SMILESCCC1CCCN(CC(OC(CN2CCCC(CC)C2)C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C20H34F6N2O/c1-3-15-7-5-9-27(11-15)13-17(19(21,22)23)29-18(20(24,25)26)14-28-10-6-8-16(4-2)12-28/h15-18H,3-14H2,1-2H3
InChIKeyZSJXAFYGYSOBRB-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.11
Rot. Bonds8

About 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine

3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine (PubChem CID 142768093) has the molecular formula C20H34F6N2O and a molecular weight of 432.49 g/mol. Its IUPAC name is 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine.

Molecular Properties

Compound Name3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine
PubChem CID142768093
Molecular FormulaC20H34F6N2O
Molecular Weight432.49 g/mol
Exact Mass432.26
IUPAC Name3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine
SMILESCCC1CCCN(CC(OC(CN2CCCC(CC)C2)C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C20H34F6N2O/c1-3-15-7-5-9-27(11-15)13-17(19(21,22)23)29-18(20(24,25)26)14-28-10-6-8-16(4-2)12-28/h15-18H,3-14H2,1-2H3
InChIKeyZSJXAFYGYSOBRB-UHFFFAOYSA-N
XLogP5.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine?
The IUPAC name of 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine (CID 142768093) is 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine.
What is the SMILES notation for 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine?
The canonical SMILES for 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine is CCC1CCCN(CC(OC(CN2CCCC(CC)C2)C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine?
The InChIKey is ZSJXAFYGYSOBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F6N2O/c1-3-15-7-5-9-27(11-15)13-17(19(21,22)23)29-18(20(24,25)26)14-28-10-6-8-16(4-2)12-28/h15-18H,3-14H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine?
3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine has a molecular weight of 432.49 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine is sourced from PubChem (CID 142768093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).