2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O2 — CID 60684895

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCCC1CO)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)5-15-4-2-1-3-8(15)6-16/h8,16H,1-7H2,(H,14,17)
InChIKeyOWZLYABIDQZNII-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.51
Rot. Bonds4

About 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60684895) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60684895
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCCC1CO)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)5-15-4-2-1-3-8(15)6-16/h8,16H,1-7H2,(H,14,17)
InChIKeyOWZLYABIDQZNII-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 60684895) is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCCCC1CO)NCC(F)(F)F.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OWZLYABIDQZNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)5-15-4-2-1-3-8(15)6-16/h8,16H,1-7H2,(H,14,17).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60684895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).