2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide

C9H15F3N2O — CID 21036997

IUPAC2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCNCC1
InChIInChI=1S/C9H15F3N2O/c1-8(2-4-13-5-3-8)6-14-7(15)9(10,11)12/h13H,2-6H2,1H3,(H,14,15)
InChIKeyFUFNEIGFASTCRR-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds2

About 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide (PubChem CID 21036997) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide
PubChem CID21036997
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)CCNCC1
InChIInChI=1S/C9H15F3N2O/c1-8(2-4-13-5-3-8)6-14-7(15)9(10,11)12/h13H,2-6H2,1H3,(H,14,15)
InChIKeyFUFNEIGFASTCRR-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.05
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)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide (CID 21036997) is 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide is CC1(CNC(=O)C(F)(F)F)CCNCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide?
The InChIKey is FUFNEIGFASTCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-8(2-4-13-5-3-8)6-14-7(15)9(10,11)12/h13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.05, 2 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)methyl]acetamide is sourced from PubChem (CID 21036997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).