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

C12H23NO — CID 118219368

IUPAC4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
SMILESCCC1CCN(CC2(C)COC2)CC1
InChIInChI=1S/C12H23NO/c1-3-11-4-6-13(7-5-11)8-12(2)9-14-10-12/h11H,3-10H2,1-2H3
InChIKeyVLCMKZTWRHYKRJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds3

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

4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine (PubChem CID 118219368) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
PubChem CID118219368
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
SMILESCCC1CCN(CC2(C)COC2)CC1
InChIInChI=1S/C12H23NO/c1-3-11-4-6-13(7-5-11)8-12(2)9-14-10-12/h11H,3-10H2,1-2H3
InChIKeyVLCMKZTWRHYKRJ-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The IUPAC name of 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine (CID 118219368) is 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The canonical SMILES for 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine is CCC1CCN(CC2(C)COC2)CC1.
What is the InChIKey of 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
The InChIKey is VLCMKZTWRHYKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11-4-6-13(7-5-11)8-12(2)9-14-10-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine?
4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine is sourced from PubChem (CID 118219368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).