[4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C10H15F3N2O3 — CID 68875026

IUPAC[4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCC(=O)NCC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-7(16)14-6-8-2-4-15(5-3-8)18-9(17)10(11,12)13/h8H,2-6H2,1H3,(H,14,16)
InChIKeyGWDLIOHBXQVQMI-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.86
Rot. Bonds3

About [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68875026) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID68875026
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name[4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCC(=O)NCC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-7(16)14-6-8-2-4-15(5-3-8)18-9(17)10(11,12)13/h8H,2-6H2,1H3,(H,14,16)
InChIKeyGWDLIOHBXQVQMI-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 68875026) is [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is CC(=O)NCC1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is GWDLIOHBXQVQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-7(16)14-6-8-2-4-15(5-3-8)18-9(17)10(11,12)13/h8H,2-6H2,1H3,(H,14,16).
What are the key properties of [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 268.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68875026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).