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

C20H27N3O2 — CID 11588169

IUPAC2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol
SMILESCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C20H27N3O2/c1-2-3-8-19(23-11-13-25-14-12-23)20(24,17-6-4-9-21-15-17)18-7-5-10-22-16-18/h4-7,9-10,15-16,19,24H,2-3,8,11-14H2,1H3
InChIKeyMHMGSQRAIMZTJJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.60
Rot. Bonds7

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

2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol (PubChem CID 11588169) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol.

Molecular Properties

Compound Name2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol
PubChem CID11588169
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol
SMILESCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C20H27N3O2/c1-2-3-8-19(23-11-13-25-14-12-23)20(24,17-6-4-9-21-15-17)18-7-5-10-22-16-18/h4-7,9-10,15-16,19,24H,2-3,8,11-14H2,1H3
InChIKeyMHMGSQRAIMZTJJ-UHFFFAOYSA-N
XLogP2.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.60
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-ylhexan-1-ol?
The IUPAC name of 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol (CID 11588169) is 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol.
What is the SMILES notation for 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol?
The canonical SMILES for 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol is CCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol?
The InChIKey is MHMGSQRAIMZTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-3-8-19(23-11-13-25-14-12-23)20(24,17-6-4-9-21-15-17)18-7-5-10-22-16-18/h4-7,9-10,15-16,19,24H,2-3,8,11-14H2,1H3.
What are the key properties of 2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol?
2-morpholin-4-yl-1,1-dipyridin-3-ylhexan-1-ol has a molecular weight of 341.45 g/mol, XLogP of 2.60, 7 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-ylhexan-1-ol is sourced from PubChem (CID 11588169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).