(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

C11H23NO3 — CID 129222575

IUPAC(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCOC1CCCN(C(O)OC(C)(C)C)C1
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(13)12-7-5-6-9(8-12)14-4/h9-10,13H,5-8H2,1-4H3
InChIKeyBLMLPYYKINFVSH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.19
Rot. Bonds3

About (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 129222575) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID129222575
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCOC1CCCN(C(O)OC(C)(C)C)C1
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(13)12-7-5-6-9(8-12)14-4/h9-10,13H,5-8H2,1-4H3
InChIKeyBLMLPYYKINFVSH-UHFFFAOYSA-N
XLogP1.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (CID 129222575) is (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is COC1CCCN(C(O)OC(C)(C)C)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is BLMLPYYKINFVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)15-10(13)12-7-5-6-9(8-12)14-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 217.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 129222575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).