4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine

C13H25NO — CID 118492181

IUPAC4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
SMILESCCC1(C)CCN(CC2(C)COC2)CC1
InChIInChI=1S/C13H25NO/c1-4-12(2)5-7-14(8-6-12)9-13(3)10-15-11-13/h4-11H2,1-3H3
InChIKeyOJJBTGRAYBAVCJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.54
Rot. Bonds3

About 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine

4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine (PubChem CID 118492181) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
PubChem CID118492181
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
SMILESCCC1(C)CCN(CC2(C)COC2)CC1
InChIInChI=1S/C13H25NO/c1-4-12(2)5-7-14(8-6-12)9-13(3)10-15-11-13/h4-11H2,1-3H3
InChIKeyOJJBTGRAYBAVCJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The IUPAC name of 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine (CID 118492181) is 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine.
What is the SMILES notation for 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The canonical SMILES for 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine is CCC1(C)CCN(CC2(C)COC2)CC1.
What is the InChIKey of 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The InChIKey is OJJBTGRAYBAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12(2)5-7-14(8-6-12)9-13(3)10-15-11-13/h4-11H2,1-3H3.
What are the key properties of 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine is sourced from PubChem (CID 118492181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).