2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine

C17H32F3NO — CID 126486779

IUPAC2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCCC(CC)C1CC(C)N(CC(F)(F)F)C(COCC)C1
InChIInChI=1S/C17H32F3NO/c1-5-8-14(6-2)15-9-13(4)21(12-17(18,19)20)16(10-15)11-22-7-3/h13-16H,5-12H2,1-4H3
InChIKeyKHUUWAUENHEOCF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.88
Rot. Bonds8

About 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine

2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 126486779) has the molecular formula C17H32F3NO and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID126486779
Molecular FormulaC17H32F3NO
Molecular Weight323.44 g/mol
Exact Mass323.24
IUPAC Name2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCCCC(CC)C1CC(C)N(CC(F)(F)F)C(COCC)C1
InChIInChI=1S/C17H32F3NO/c1-5-8-14(6-2)15-9-13(4)21(12-17(18,19)20)16(10-15)11-22-7-3/h13-16H,5-12H2,1-4H3
InChIKeyKHUUWAUENHEOCF-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine (CID 126486779) is 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine is CCCC(CC)C1CC(C)N(CC(F)(F)F)C(COCC)C1.
What is the InChIKey of 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is KHUUWAUENHEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3NO/c1-5-8-14(6-2)15-9-13(4)21(12-17(18,19)20)16(10-15)11-22-7-3/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine?
2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 323.44 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-hexan-3-yl-6-methyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 126486779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).