1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C10H17F3N2O2 — CID 79260821

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-5-9(17)15-3-1-8(6-16)2-4-15/h8,14,16H,1-7H2
InChIKeyXOHHFGCTSUUDGD-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds4

About 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79260821) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79260821
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-5-9(17)15-3-1-8(6-16)2-4-15/h8,14,16H,1-7H2
InChIKeyXOHHFGCTSUUDGD-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 79260821) is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is XOHHFGCTSUUDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-5-9(17)15-3-1-8(6-16)2-4-15/h8,14,16H,1-7H2.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79260821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).