(3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol

C10H19NO2 — CID 118146686

IUPAC(3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol
SMILESCCCCOC1C=CCNC1CO
InChIInChI=1S/C10H19NO2/c1-2-3-7-13-10-5-4-6-11-9(10)8-12/h4-5,9-12H,2-3,6-8H2,1H3
InChIKeyIUWYRWAQXUOBIP-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds5

About (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol

(3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol (PubChem CID 118146686) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol.

Molecular Properties

Compound Name(3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol
PubChem CID118146686
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol
SMILESCCCCOC1C=CCNC1CO
InChIInChI=1S/C10H19NO2/c1-2-3-7-13-10-5-4-6-11-9(10)8-12/h4-5,9-12H,2-3,6-8H2,1H3
InChIKeyIUWYRWAQXUOBIP-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol?
The IUPAC name of (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol (CID 118146686) is (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol.
What is the SMILES notation for (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol?
The canonical SMILES for (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol is CCCCOC1C=CCNC1CO.
What is the InChIKey of (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol?
The InChIKey is IUWYRWAQXUOBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-7-13-10-5-4-6-11-9(10)8-12/h4-5,9-12H,2-3,6-8H2,1H3.
What are the key properties of (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol?
(3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol has a molecular weight of 185.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol is sourced from PubChem (CID 118146686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).