4-tert-butyl-3-fluoropiperidine

C9H18FN — CID 58286853

IUPAC4-tert-butyl-3-fluoropiperidine
SMILESCC(C)(C)C1CCNCC1F
InChIInChI=1S/C9H18FN/c1-9(2,3)7-4-5-11-6-8(7)10/h7-8,11H,4-6H2,1-3H3
InChIKeyGUHVSEIJMIGRDB-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds

About 4-tert-butyl-3-fluoropiperidine

4-tert-butyl-3-fluoropiperidine (PubChem CID 58286853) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoropiperidine.

Molecular Properties

Compound Name4-tert-butyl-3-fluoropiperidine
PubChem CID58286853
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name4-tert-butyl-3-fluoropiperidine
SMILESCC(C)(C)C1CCNCC1F
InChIInChI=1S/C9H18FN/c1-9(2,3)7-4-5-11-6-8(7)10/h7-8,11H,4-6H2,1-3H3
InChIKeyGUHVSEIJMIGRDB-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-3-fluoropiperidine 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-tert-butyl-3-fluoropiperidine?
The IUPAC name of 4-tert-butyl-3-fluoropiperidine (CID 58286853) is 4-tert-butyl-3-fluoropiperidine.
What is the SMILES notation for 4-tert-butyl-3-fluoropiperidine?
The canonical SMILES for 4-tert-butyl-3-fluoropiperidine is CC(C)(C)C1CCNCC1F.
What is the InChIKey of 4-tert-butyl-3-fluoropiperidine?
The InChIKey is GUHVSEIJMIGRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2,3)7-4-5-11-6-8(7)10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-3-fluoropiperidine?
4-tert-butyl-3-fluoropiperidine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoropiperidine is sourced from PubChem (CID 58286853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).