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

C22H31N3O2 — CID 11646379

IUPAC2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol
SMILESCCCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H31N3O2/c1-2-3-4-5-10-21(25-13-15-27-16-14-25)22(26,19-8-6-11-23-17-19)20-9-7-12-24-18-20/h6-9,11-12,17-18,21,26H,2-5,10,13-16H2,1H3
InChIKeyPUFFDHPIZWKLSX-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.38
Rot. Bonds9

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

2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol (PubChem CID 11646379) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol.

Molecular Properties

Compound Name2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol
PubChem CID11646379
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol
SMILESCCCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H31N3O2/c1-2-3-4-5-10-21(25-13-15-27-16-14-25)22(26,19-8-6-11-23-17-19)20-9-7-12-24-18-20/h6-9,11-12,17-18,21,26H,2-5,10,13-16H2,1H3
InChIKeyPUFFDHPIZWKLSX-UHFFFAOYSA-N
XLogP3.38
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol?
The IUPAC name of 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol (CID 11646379) is 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol.
What is the SMILES notation for 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol?
The canonical SMILES for 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol is CCCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol?
The InChIKey is PUFFDHPIZWKLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-2-3-4-5-10-21(25-13-15-27-16-14-25)22(26,19-8-6-11-23-17-19)20-9-7-12-24-18-20/h6-9,11-12,17-18,21,26H,2-5,10,13-16H2,1H3.
What are the key properties of 2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol?
2-morpholin-4-yl-1,1-dipyridin-3-yloctan-1-ol has a molecular weight of 369.51 g/mol, XLogP of 3.38, 9 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-yloctan-1-ol is sourced from PubChem (CID 11646379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).