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

C13H25NO — CID 129119929

IUPAC4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1(C)CCN(C2COC2)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)13(4)5-7-14(8-6-13)11-9-15-10-11/h11H,5-10H2,1-4H3
InChIKeyRVHFPQSJQJPZNA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds1

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

4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine (PubChem CID 129119929) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine
PubChem CID129119929
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine
SMILESCC(C)(C)C1(C)CCN(C2COC2)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)13(4)5-7-14(8-6-13)11-9-15-10-11/h11H,5-10H2,1-4H3
InChIKeyRVHFPQSJQJPZNA-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-4-methyl-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-4-methyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine (CID 129119929) is 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine is CC(C)(C)C1(C)CCN(C2COC2)CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine?
The InChIKey is RVHFPQSJQJPZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)13(4)5-7-14(8-6-13)11-9-15-10-11/h11H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine?
4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 129119929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).