1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone

C16H26F3NO2 — CID 86787381

IUPAC1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESCOCC1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H26F3NO2/c1-22-11-13-3-2-8-20(10-13)15(21)9-12-4-6-14(7-5-12)16(17,18)19/h12-14H,2-11H2,1H3
InChIKeyUCOCJVHBLNVXPH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.63
Rot. Bonds4

About 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone

1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 86787381) has the molecular formula C16H26F3NO2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID86787381
Molecular FormulaC16H26F3NO2
Molecular Weight321.38 g/mol
Exact Mass321.19
IUPAC Name1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESCOCC1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H26F3NO2/c1-22-11-13-3-2-8-20(10-13)15(21)9-12-4-6-14(7-5-12)16(17,18)19/h12-14H,2-11H2,1H3
InChIKeyUCOCJVHBLNVXPH-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone (CID 86787381) is 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone is COCC1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is UCOCJVHBLNVXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO2/c1-22-11-13-3-2-8-20(10-13)15(21)9-12-4-6-14(7-5-12)16(17,18)19/h12-14H,2-11H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone?
1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 86787381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).