4-methoxy-1-(oxetan-3-yl)piperidine

C9H17NO2 — CID 90176060

IUPAC4-methoxy-1-(oxetan-3-yl)piperidine
SMILESCOC1CCN(C2COC2)CC1
InChIInChI=1S/C9H17NO2/c1-11-9-2-4-10(5-3-9)8-6-12-7-8/h8-9H,2-7H2,1H3
InChIKeyWXUZONWPOYWXAM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.50
Rot. Bonds2

About 4-methoxy-1-(oxetan-3-yl)piperidine

4-methoxy-1-(oxetan-3-yl)piperidine (PubChem CID 90176060) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-methoxy-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(oxetan-3-yl)piperidine
PubChem CID90176060
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-methoxy-1-(oxetan-3-yl)piperidine
SMILESCOC1CCN(C2COC2)CC1
InChIInChI=1S/C9H17NO2/c1-11-9-2-4-10(5-3-9)8-6-12-7-8/h8-9H,2-7H2,1H3
InChIKeyWXUZONWPOYWXAM-UHFFFAOYSA-N
XLogP0.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-methoxy-1-(oxetan-3-yl)piperidine (CID 90176060) is 4-methoxy-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-methoxy-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-methoxy-1-(oxetan-3-yl)piperidine is COC1CCN(C2COC2)CC1.
What is the InChIKey of 4-methoxy-1-(oxetan-3-yl)piperidine?
The InChIKey is WXUZONWPOYWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-9-2-4-10(5-3-9)8-6-12-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 4-methoxy-1-(oxetan-3-yl)piperidine?
4-methoxy-1-(oxetan-3-yl)piperidine has a molecular weight of 171.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 90176060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).