2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride

C8H14ClF3N2O — CID 121418329

IUPAC2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1(NC(=O)C(F)(F)F)CCNCC1.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-7(2-4-12-5-3-7)13-6(14)8(9,10)11;/h12H,2-5H2,1H3,(H,13,14);1H
InChIKeyVZEDDJIOKGSICN-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.23
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride

2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 121418329) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID121418329
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1(NC(=O)C(F)(F)F)CCNCC1.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-7(2-4-12-5-3-7)13-6(14)8(9,10)11;/h12H,2-5H2,1H3,(H,13,14);1H
InChIKeyVZEDDJIOKGSICN-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride (CID 121418329) is 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride is CC1(NC(=O)C(F)(F)F)CCNCC1.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is VZEDDJIOKGSICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c1-7(2-4-12-5-3-7)13-6(14)8(9,10)11;/h12H,2-5H2,1H3,(H,13,14);1H.
What are the key properties of 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride?
2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 121418329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).