4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane

C13H27NO — CID 144858584

IUPAC4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
SMILESCC.CC1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyDZWOLFWVHZVJJF-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds2

About 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane

4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane (PubChem CID 144858584) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
PubChem CID144858584
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
SMILESCC.CC1(C)CCN(CC2COC2)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyDZWOLFWVHZVJJF-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
The IUPAC name of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane (CID 144858584) is 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane.
What is the SMILES notation for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
The canonical SMILES for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane is CC.CC1(C)CCN(CC2COC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
The InChIKey is DZWOLFWVHZVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-11(2)3-5-12(6-4-11)7-10-8-13-9-10;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane?
4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane has a molecular weight of 213.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane is sourced from PubChem (CID 144858584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).