2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol

C26H42N6O2 — CID 161394657

IUPAC2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol
SMILESCc1nc(N2CCN(C)CC2)c(C)c(C)c1O.Cc1nc(N2CCN(C)CC2)c(C)c(C)c1O
InChIInChI=1S/2C13H21N3O/c2*1-9-10(2)13(14-11(3)12(9)17)16-7-5-15(4)6-8-16/h2*17H,5-8H2,1-4H3
InChIKeyVTLCQEVFQBJYJF-UHFFFAOYSA-N
MW470.66 g/mol
LogP2.93
Rot. Bonds2

About 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol

2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol (PubChem CID 161394657) has the molecular formula C26H42N6O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol
PubChem CID161394657
Molecular FormulaC26H42N6O2
Molecular Weight470.66 g/mol
Exact Mass470.34
IUPAC Name2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol
SMILESCc1nc(N2CCN(C)CC2)c(C)c(C)c1O.Cc1nc(N2CCN(C)CC2)c(C)c(C)c1O
InChIInChI=1S/2C13H21N3O/c2*1-9-10(2)13(14-11(3)12(9)17)16-7-5-15(4)6-8-16/h2*17H,5-8H2,1-4H3
InChIKeyVTLCQEVFQBJYJF-UHFFFAOYSA-N
XLogP2.93
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol (CID 161394657) is 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol is Cc1nc(N2CCN(C)CC2)c(C)c(C)c1O.Cc1nc(N2CCN(C)CC2)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol?
The InChIKey is VTLCQEVFQBJYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3O/c2*1-9-10(2)13(14-11(3)12(9)17)16-7-5-15(4)6-8-16/h2*17H,5-8H2,1-4H3.
What are the key properties of 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol?
2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol has a molecular weight of 470.66 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol is sourced from PubChem (CID 161394657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).