2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide

C10H17F3N2O2 — CID 64591491

IUPAC2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(CCO)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14-4-2-8(3-5-14)15(6-7-16)9(17)10(11,12)13/h8,16H,2-7H2,1H3
InChIKeyUPBOOVNFPBDXLC-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.46
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 64591491) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID64591491
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(CCO)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-14-4-2-8(3-5-14)15(6-7-16)9(17)10(11,12)13/h8,16H,2-7H2,1H3
InChIKeyUPBOOVNFPBDXLC-UHFFFAOYSA-N
XLogP0.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide (CID 64591491) is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(CCO)C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is UPBOOVNFPBDXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14-4-2-8(3-5-14)15(6-7-16)9(17)10(11,12)13/h8,16H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 64591491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).