3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol

C9H15NO2 — CID 121257610

IUPAC3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol
SMILESCC1C=CC=C(OCCCO)N1
InChIInChI=1S/C9H15NO2/c1-8-4-2-5-9(10-8)12-7-3-6-11/h2,4-5,8,10-11H,3,6-7H2,1H3
InChIKeyUWJQSDPXQBOASX-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.77
Rot. Bonds4

About 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol

3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol (PubChem CID 121257610) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol
PubChem CID121257610
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol
SMILESCC1C=CC=C(OCCCO)N1
InChIInChI=1S/C9H15NO2/c1-8-4-2-5-9(10-8)12-7-3-6-11/h2,4-5,8,10-11H,3,6-7H2,1H3
InChIKeyUWJQSDPXQBOASX-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol (CID 121257610) is 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol is CC1C=CC=C(OCCCO)N1.
What is the InChIKey of 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol?
The InChIKey is UWJQSDPXQBOASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8-4-2-5-9(10-8)12-7-3-6-11/h2,4-5,8,10-11H,3,6-7H2,1H3.
What are the key properties of 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol?
3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,2-dihydropyridin-6-yl)oxy]propan-1-ol is sourced from PubChem (CID 121257610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).