tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate

C14H24FNO4 — CID 174458984

IUPACtert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate
SMILESCCCC(=O)OC1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H24FNO4/c1-5-6-12(17)19-11-7-8-16(9-10(11)15)13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyYOMFVQLERHGNIE-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate

tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate (PubChem CID 174458984) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate
PubChem CID174458984
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Nametert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate
SMILESCCCC(=O)OC1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H24FNO4/c1-5-6-12(17)19-11-7-8-16(9-10(11)15)13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyYOMFVQLERHGNIE-UHFFFAOYSA-N
XLogP2.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate 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 tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate (CID 174458984) is tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate is CCCC(=O)OC1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate?
The InChIKey is YOMFVQLERHGNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-5-6-12(17)19-11-7-8-16(9-10(11)15)13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate has a molecular weight of 289.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 174458984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).