5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol

C14H23N3O2 — CID 139402352

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCCN1CCN(Cc2cnc(C)c(O)c2CO)CC1
InChIInChI=1S/C14H23N3O2/c1-3-16-4-6-17(7-5-16)9-12-8-15-11(2)14(19)13(12)10-18/h8,18-19H,3-7,9-10H2,1-2H3
InChIKeyNRBQRHVZZIRIIO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.73
Rot. Bonds4

About 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol

5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 139402352) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID139402352
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCCN1CCN(Cc2cnc(C)c(O)c2CO)CC1
InChIInChI=1S/C14H23N3O2/c1-3-16-4-6-17(7-5-16)9-12-8-15-11(2)14(19)13(12)10-18/h8,18-19H,3-7,9-10H2,1-2H3
InChIKeyNRBQRHVZZIRIIO-UHFFFAOYSA-N
XLogP0.73
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-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 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol (CID 139402352) is 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol is CCN1CCN(Cc2cnc(C)c(O)c2CO)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is NRBQRHVZZIRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-16-4-6-17(7-5-16)9-12-8-15-11(2)14(19)13(12)10-18/h8,18-19H,3-7,9-10H2,1-2H3.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol?
5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 265.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 139402352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).