2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol

C14H23N3O — CID 102545622

IUPAC2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol
SMILESCCN1CCN(c2cc(C)c(CCO)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-3-16-5-7-17(8-6-16)14-10-12(2)13(4-9-18)11-15-14/h10-11,18H,3-9H2,1-2H3
InChIKeyDIGOFEQNDJLERY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.07
Rot. Bonds4

About 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol

2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol (PubChem CID 102545622) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol
PubChem CID102545622
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol
SMILESCCN1CCN(c2cc(C)c(CCO)cn2)CC1
InChIInChI=1S/C14H23N3O/c1-3-16-5-7-17(8-6-16)14-10-12(2)13(4-9-18)11-15-14/h10-11,18H,3-9H2,1-2H3
InChIKeyDIGOFEQNDJLERY-UHFFFAOYSA-N
XLogP1.07
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol?
The IUPAC name of 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol (CID 102545622) is 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol?
The canonical SMILES for 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol is CCN1CCN(c2cc(C)c(CCO)cn2)CC1.
What is the InChIKey of 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol?
The InChIKey is DIGOFEQNDJLERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-16-5-7-17(8-6-16)14-10-12(2)13(4-9-18)11-15-14/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol?
2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylpiperazin-1-yl)-4-methyl-3-pyridinyl]ethanol is sourced from PubChem (CID 102545622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).