2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol

C17H21N3O2 — CID 11688027

IUPAC2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol
SMILESCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-14(20-8-10-22-11-9-20)17(21,15-4-2-6-18-12-15)16-5-3-7-19-13-16/h2-7,12-14,21H,8-11H2,1H3
InChIKeyBEQHCPMFBSSJLM-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.43
Rot. Bonds4

About 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol

2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol (PubChem CID 11688027) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol
PubChem CID11688027
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol
SMILESCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-14(20-8-10-22-11-9-20)17(21,15-4-2-6-18-12-15)16-5-3-7-19-13-16/h2-7,12-14,21H,8-11H2,1H3
InChIKeyBEQHCPMFBSSJLM-UHFFFAOYSA-N
XLogP1.43
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol?
The IUPAC name of 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol (CID 11688027) is 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol.
What is the SMILES notation for 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol?
The canonical SMILES for 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol is CC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol?
The InChIKey is BEQHCPMFBSSJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14(20-8-10-22-11-9-20)17(21,15-4-2-6-18-12-15)16-5-3-7-19-13-16/h2-7,12-14,21H,8-11H2,1H3.
What are the key properties of 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol?
2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol has a molecular weight of 299.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,1-dipyridin-3-ylpropan-1-ol is sourced from PubChem (CID 11688027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).