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

C14H22F3NO — CID 104750886

IUPAC1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)CC1)C1CCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-6-8-18(9-7-12)10-13(19)11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyRNPJJSYORFPNLW-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.41
Rot. Bonds3

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

1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 104750886) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID104750886
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)CC1)C1CCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-6-8-18(9-7-12)10-13(19)11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyRNPJJSYORFPNLW-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 104750886) is 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(C(F)(F)F)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is RNPJJSYORFPNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)12-6-8-18(9-7-12)10-13(19)11-4-2-1-3-5-11/h11-12H,1-10H2.
What are the key properties of 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 277.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 104750886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).