tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate

C11H20FNO2 — CID 10608815

IUPACtert-butyl 4-(fluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CF)CC1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKeyJPONZPZEVAZHJW-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.60
Rot. Bonds1

About tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate

tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate (PubChem CID 10608815) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(fluoromethyl)piperidine-1-carboxylate
PubChem CID10608815
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nametert-butyl 4-(fluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CF)CC1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKeyJPONZPZEVAZHJW-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 4-(fluoromethyl)piperidine-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-(fluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate (CID 10608815) is tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CF)CC1.
What is the InChIKey of tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate?
The InChIKey is JPONZPZEVAZHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate?
tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate has a molecular weight of 217.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 10608815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).