2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone

C13H22F3NO — CID 20811814

IUPAC2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone
SMILESCC(C)CCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)4-3-5-11-6-8-17(9-7-11)12(18)13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyBTGYIIPULCWCPI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.61
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone (PubChem CID 20811814) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone
PubChem CID20811814
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone
SMILESCC(C)CCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)4-3-5-11-6-8-17(9-7-11)12(18)13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyBTGYIIPULCWCPI-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone (CID 20811814) is 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone is CC(C)CCCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone?
The InChIKey is BTGYIIPULCWCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(2)4-3-5-11-6-8-17(9-7-11)12(18)13(14,15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone has a molecular weight of 265.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 20811814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).