2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol

C15H25N3O — CID 79158630

IUPAC2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCCC1CN(Cc2nc(C)ccc2O)C(CC)CN1
InChIInChI=1S/C15H25N3O/c1-4-12-9-18(13(5-2)8-16-12)10-14-15(19)7-6-11(3)17-14/h6-7,12-13,16,19H,4-5,8-10H2,1-3H3
InChIKeyCDGPSDWMWFFEKO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol

2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol (PubChem CID 79158630) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol
PubChem CID79158630
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCCC1CN(Cc2nc(C)ccc2O)C(CC)CN1
InChIInChI=1S/C15H25N3O/c1-4-12-9-18(13(5-2)8-16-12)10-14-15(19)7-6-11(3)17-14/h6-7,12-13,16,19H,4-5,8-10H2,1-3H3
InChIKeyCDGPSDWMWFFEKO-UHFFFAOYSA-N
XLogP2.06
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol (CID 79158630) is 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol is CCC1CN(Cc2nc(C)ccc2O)C(CC)CN1.
What is the InChIKey of 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol?
The InChIKey is CDGPSDWMWFFEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12-9-18(13(5-2)8-16-12)10-14-15(19)7-6-11(3)17-14/h6-7,12-13,16,19H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol?
2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79158630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).