3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol

C19H25N3O2 — CID 11702625

IUPAC3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol
SMILESCC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C19H25N3O2/c1-15(2)18(22-9-11-24-12-10-22)19(23,16-5-3-7-20-13-16)17-6-4-8-21-14-17/h3-8,13-15,18,23H,9-12H2,1-2H3
InChIKeyBOEKOZVTAVMFTP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.07
Rot. Bonds5

About 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol

3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol (PubChem CID 11702625) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol
PubChem CID11702625
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol
SMILESCC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C19H25N3O2/c1-15(2)18(22-9-11-24-12-10-22)19(23,16-5-3-7-20-13-16)17-6-4-8-21-14-17/h3-8,13-15,18,23H,9-12H2,1-2H3
InChIKeyBOEKOZVTAVMFTP-UHFFFAOYSA-N
XLogP2.07
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol?
The IUPAC name of 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol (CID 11702625) is 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol?
The canonical SMILES for 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol is CC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol?
The InChIKey is BOEKOZVTAVMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(2)18(22-9-11-24-12-10-22)19(23,16-5-3-7-20-13-16)17-6-4-8-21-14-17/h3-8,13-15,18,23H,9-12H2,1-2H3.
What are the key properties of 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol?
3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol has a molecular weight of 327.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-morpholin-4-yl-1,1-dipyridin-3-ylbutan-1-ol is sourced from PubChem (CID 11702625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).