3-methoxypiperidin-4-ol;toluene

C13H21NO2 — CID 143401934

IUPAC3-methoxypiperidin-4-ol;toluene
SMILESCOC1CNCCC1O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H13NO2/c1-7-5-3-2-4-6-7;1-9-6-4-7-3-2-5(6)8/h2-6H,1H3;5-8H,2-4H2,1H3
InChIKeyKMVGQPPUUHFEDJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.35
Rot. Bonds1

About 3-methoxypiperidin-4-ol;toluene

3-methoxypiperidin-4-ol;toluene (PubChem CID 143401934) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxypiperidin-4-ol;toluene.

Molecular Properties

Compound Name3-methoxypiperidin-4-ol;toluene
PubChem CID143401934
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxypiperidin-4-ol;toluene
SMILESCOC1CNCCC1O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H13NO2/c1-7-5-3-2-4-6-7;1-9-6-4-7-3-2-5(6)8/h2-6H,1H3;5-8H,2-4H2,1H3
InChIKeyKMVGQPPUUHFEDJ-UHFFFAOYSA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypiperidin-4-ol;toluene?
The IUPAC name of 3-methoxypiperidin-4-ol;toluene (CID 143401934) is 3-methoxypiperidin-4-ol;toluene.
What is the SMILES notation for 3-methoxypiperidin-4-ol;toluene?
The canonical SMILES for 3-methoxypiperidin-4-ol;toluene is COC1CNCCC1O.Cc1ccccc1.
What is the InChIKey of 3-methoxypiperidin-4-ol;toluene?
The InChIKey is KMVGQPPUUHFEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H13NO2/c1-7-5-3-2-4-6-7;1-9-6-4-7-3-2-5(6)8/h2-6H,1H3;5-8H,2-4H2,1H3.
What are the key properties of 3-methoxypiperidin-4-ol;toluene?
3-methoxypiperidin-4-ol;toluene has a molecular weight of 223.32 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypiperidin-4-ol;toluene is sourced from PubChem (CID 143401934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).