N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide

C9H15F3N2O — CID 171561105

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-7(15)13-8-2-4-14(5-3-8)6-9(10,11)12/h8H,2-6H2,1H3,(H,13,15)
InChIKeyFBUDXXHYAYPDHN-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds2

About N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (PubChem CID 171561105) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
PubChem CID171561105
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-7(15)13-8-2-4-14(5-3-8)6-9(10,11)12/h8H,2-6H2,1H3,(H,13,15)
InChIKeyFBUDXXHYAYPDHN-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (CID 171561105) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The InChIKey is FBUDXXHYAYPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(15)13-8-2-4-14(5-3-8)6-9(10,11)12/h8H,2-6H2,1H3,(H,13,15).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 171561105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).