[2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol

C14H20N2O4 — CID 122573604

IUPAC[2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol
SMILESOCc1ccc(NCC2CCOC2)nc1C1OCCO1
InChIInChI=1S/C14H20N2O4/c17-8-11-1-2-12(15-7-10-3-4-18-9-10)16-13(11)14-19-5-6-20-14/h1-2,10,14,17H,3-9H2,(H,15,16)
InChIKeyYMYMGCLJFRLCFS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.07
Rot. Bonds5

About [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol

[2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol (PubChem CID 122573604) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol
PubChem CID122573604
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol
SMILESOCc1ccc(NCC2CCOC2)nc1C1OCCO1
InChIInChI=1S/C14H20N2O4/c17-8-11-1-2-12(15-7-10-3-4-18-9-10)16-13(11)14-19-5-6-20-14/h1-2,10,14,17H,3-9H2,(H,15,16)
InChIKeyYMYMGCLJFRLCFS-UHFFFAOYSA-N
XLogP1.07
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol (CID 122573604) is [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol is OCc1ccc(NCC2CCOC2)nc1C1OCCO1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol?
The InChIKey is YMYMGCLJFRLCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-8-11-1-2-12(15-7-10-3-4-18-9-10)16-13(11)14-19-5-6-20-14/h1-2,10,14,17H,3-9H2,(H,15,16).
What are the key properties of [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol?
[2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol has a molecular weight of 280.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-6-(oxolan-3-ylmethylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 122573604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).