2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine

C13H25NO — CID 134567174

IUPAC2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine
SMILESCCCC1CC(C)CC(C)N1C1COC1
InChIInChI=1S/C13H25NO/c1-4-5-12-7-10(2)6-11(3)14(12)13-8-15-9-13/h10-13H,4-9H2,1-3H3
InChIKeyOMKHYQIRZLJPBL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.67
Rot. Bonds3

About 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine

2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine (PubChem CID 134567174) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine
PubChem CID134567174
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine
SMILESCCCC1CC(C)CC(C)N1C1COC1
InChIInChI=1S/C13H25NO/c1-4-5-12-7-10(2)6-11(3)14(12)13-8-15-9-13/h10-13H,4-9H2,1-3H3
InChIKeyOMKHYQIRZLJPBL-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine 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 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine?
The IUPAC name of 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine (CID 134567174) is 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine.
What is the SMILES notation for 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine?
The canonical SMILES for 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine is CCCC1CC(C)CC(C)N1C1COC1.
What is the InChIKey of 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine?
The InChIKey is OMKHYQIRZLJPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-12-7-10(2)6-11(3)14(12)13-8-15-9-13/h10-13H,4-9H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine?
2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine has a molecular weight of 211.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(oxetan-3-yl)-6-propylpiperidine is sourced from PubChem (CID 134567174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).