2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol

C13H18N2O3 — CID 109379967

IUPAC2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCC2=CCCOC2)cn1
InChIInChI=1S/C13H18N2O3/c16-5-7-18-13-4-3-12(9-15-13)14-8-11-2-1-6-17-10-11/h2-4,9,14,16H,1,5-8,10H2
InChIKeyFDUXKKPIXCWBTQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.21
Rot. Bonds6

About 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol

2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol (PubChem CID 109379967) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol
PubChem CID109379967
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCC2=CCCOC2)cn1
InChIInChI=1S/C13H18N2O3/c16-5-7-18-13-4-3-12(9-15-13)14-8-11-2-1-6-17-10-11/h2-4,9,14,16H,1,5-8,10H2
InChIKeyFDUXKKPIXCWBTQ-UHFFFAOYSA-N
XLogP1.21
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol (CID 109379967) is 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol is OCCOc1ccc(NCC2=CCCOC2)cn1.
What is the InChIKey of 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The InChIKey is FDUXKKPIXCWBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-5-7-18-13-4-3-12(9-15-13)14-8-11-2-1-6-17-10-11/h2-4,9,14,16H,1,5-8,10H2.
What are the key properties of 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol?
2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol has a molecular weight of 250.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 109379967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).