[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate

C10H16F3NO3 — CID 69487812

IUPAC[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOCC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c1-9(7-16-2)3-5-14(6-4-9)17-8(15)10(11,12)13/h3-7H2,1-2H3
InChIKeyXBBSHTODRUJOIT-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.76
Rot. Bonds3

About [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate

[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 69487812) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID69487812
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOCC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c1-9(7-16-2)3-5-14(6-4-9)17-8(15)10(11,12)13/h3-7H2,1-2H3
InChIKeyXBBSHTODRUJOIT-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate (CID 69487812) is [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate is COCC1(C)CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is XBBSHTODRUJOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(7-16-2)3-5-14(6-4-9)17-8(15)10(11,12)13/h3-7H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 255.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 69487812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).