4-tert-butyl-1-(oxetan-3-yl)piperidine

C12H23NO — CID 58395210

IUPAC4-tert-butyl-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCN(C2COC2)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11/h10-11H,4-9H2,1-3H3
InChIKeyWRIRNOIHVKKRKE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds1

About 4-tert-butyl-1-(oxetan-3-yl)piperidine

4-tert-butyl-1-(oxetan-3-yl)piperidine (PubChem CID 58395210) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-tert-butyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(oxetan-3-yl)piperidine
PubChem CID58395210
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-tert-butyl-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1CCN(C2COC2)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11/h10-11H,4-9H2,1-3H3
InChIKeyWRIRNOIHVKKRKE-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1-(oxetan-3-yl)piperidine 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-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-tert-butyl-1-(oxetan-3-yl)piperidine (CID 58395210) is 4-tert-butyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(oxetan-3-yl)piperidine is CC(C)(C)C1CCN(C2COC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(oxetan-3-yl)piperidine?
The InChIKey is WRIRNOIHVKKRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(oxetan-3-yl)piperidine?
4-tert-butyl-1-(oxetan-3-yl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 58395210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).