2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one

C14H22F3NO2 — CID 126750314

IUPAC2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c1-13(2,3)12(20)18-8-5-10(6-9-18)11(19)4-7-14(15,16)17/h10H,4-9H2,1-3H3
InChIKeyMWNPHDGSAXGGAF-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.18
Rot. Bonds3

About 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one (PubChem CID 126750314) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one
PubChem CID126750314
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c1-13(2,3)12(20)18-8-5-10(6-9-18)11(19)4-7-14(15,16)17/h10H,4-9H2,1-3H3
InChIKeyMWNPHDGSAXGGAF-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one (CID 126750314) is 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one?
The InChIKey is MWNPHDGSAXGGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-13(2,3)12(20)18-8-5-10(6-9-18)11(19)4-7-14(15,16)17/h10H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one has a molecular weight of 293.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).