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

C13H23F3N2O2 — CID 111333338

IUPAC2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(O)C1CCCCN1CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-3-11(19)10-6-4-5-7-18(10)8-12(20)17(2)9-13(14,15)16/h10-11,19H,3-9H2,1-2H3
InChIKeyIOHPNBRTEJIVIR-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.63
Rot. Bonds5

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

2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111333338) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111333338
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(O)C1CCCCN1CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-3-11(19)10-6-4-5-7-18(10)8-12(20)17(2)9-13(14,15)16/h10-11,19H,3-9H2,1-2H3
InChIKeyIOHPNBRTEJIVIR-UHFFFAOYSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111333338) is 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCC(O)C1CCCCN1CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IOHPNBRTEJIVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-11(19)10-6-4-5-7-18(10)8-12(20)17(2)9-13(14,15)16/h10-11,19H,3-9H2,1-2H3.
What are the key properties of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111333338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).