2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol

C13H25NO2 — CID 116875303

IUPAC2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol
SMILESCCC(CO)C1(C2CCN(C)CC2)COC1
InChIInChI=1S/C13H25NO2/c1-3-11(8-15)13(9-16-10-13)12-4-6-14(2)7-5-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLDQUJTIFGKDJPX-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.36
Rot. Bonds4

About 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol

2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol (PubChem CID 116875303) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol.

Molecular Properties

Compound Name2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol
PubChem CID116875303
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol
SMILESCCC(CO)C1(C2CCN(C)CC2)COC1
InChIInChI=1S/C13H25NO2/c1-3-11(8-15)13(9-16-10-13)12-4-6-14(2)7-5-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLDQUJTIFGKDJPX-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol?
The IUPAC name of 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol (CID 116875303) is 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol.
What is the SMILES notation for 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol?
The canonical SMILES for 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol is CCC(CO)C1(C2CCN(C)CC2)COC1.
What is the InChIKey of 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol?
The InChIKey is LDQUJTIFGKDJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-11(8-15)13(9-16-10-13)12-4-6-14(2)7-5-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol?
2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol is sourced from PubChem (CID 116875303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).