[4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate

C16H31FN2O2 — CID 143109203

IUPAC[4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
SMILESCCCCN(CF)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C16H31FN2O2/c1-7-8-9-18(12-17)14-10-15(3,4)19(21-13(2)20)16(5,6)11-14/h14H,7-12H2,1-6H3
InChIKeyJGZQNQWEQHKSLX-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.52
Rot. Bonds6

About [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate

[4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate (PubChem CID 143109203) has the molecular formula C16H31FN2O2 and a molecular weight of 302.43 g/mol. Its IUPAC name is [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
PubChem CID143109203
Molecular FormulaC16H31FN2O2
Molecular Weight302.43 g/mol
Exact Mass302.24
IUPAC Name[4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate
SMILESCCCCN(CF)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C16H31FN2O2/c1-7-8-9-18(12-17)14-10-15(3,4)19(21-13(2)20)16(5,6)11-14/h14H,7-12H2,1-6H3
InChIKeyJGZQNQWEQHKSLX-UHFFFAOYSA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate 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-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The IUPAC name of [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate (CID 143109203) is [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate.
What is the SMILES notation for [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The canonical SMILES for [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate is CCCCN(CF)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1.
What is the InChIKey of [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
The InChIKey is JGZQNQWEQHKSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2O2/c1-7-8-9-18(12-17)14-10-15(3,4)19(21-13(2)20)16(5,6)11-14/h14H,7-12H2,1-6H3.
What are the key properties of [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate?
[4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate has a molecular weight of 302.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[butyl(fluoromethyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] acetate is sourced from PubChem (CID 143109203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).