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

C13H21N3O — CID 71622659

IUPAC2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol
SMILESCc1nc(N2CCN(C)CC2)c(C)c(C)c1O
InChIInChI=1S/C13H21N3O/c1-9-10(2)13(14-11(3)12(9)17)16-7-5-15(4)6-8-16/h17H,5-8H2,1-4H3
InChIKeyNDNVPDSVHDYFIZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds1

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 71622659) has the molecular formula C13H21N3O and a molecular weight of 235.33 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 CID71622659
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol
SMILESCc1nc(N2CCN(C)CC2)c(C)c(C)c1O
InChIInChI=1S/C13H21N3O/c1-9-10(2)13(14-11(3)12(9)17)16-7-5-15(4)6-8-16/h17H,5-8H2,1-4H3
InChIKeyNDNVPDSVHDYFIZ-UHFFFAOYSA-N
XLogP1.46
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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 71622659) 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.
What is the InChIKey of 2,4,5-trimethyl-6-(4-methylpiperazin-1-yl)pyridin-3-ol?
The InChIKey is NDNVPDSVHDYFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-10(2)13(14-11(3)12(9)17)16-7-5-15(4)6-8-16/h17H,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 235.33 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 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 71622659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).