6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol

C12H20N4O — CID 83010365

IUPAC6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNN2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-10-3-4-12(17)11(14-10)9-13-16-7-5-15(2)6-8-16/h3-4,13,17H,5-9H2,1-2H3
InChIKeyJVVXKDQTIGTRJI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.35
Rot. Bonds3

About 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol

6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol (PubChem CID 83010365) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol
PubChem CID83010365
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNN2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-10-3-4-12(17)11(14-10)9-13-16-7-5-15(2)6-8-16/h3-4,13,17H,5-9H2,1-2H3
InChIKeyJVVXKDQTIGTRJI-UHFFFAOYSA-N
XLogP0.35
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol (CID 83010365) is 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNN2CCN(C)CC2)n1.
What is the InChIKey of 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol?
The InChIKey is JVVXKDQTIGTRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-3-4-12(17)11(14-10)9-13-16-7-5-15(2)6-8-16/h3-4,13,17H,5-9H2,1-2H3.
What are the key properties of 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol?
6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol has a molecular weight of 236.32 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(4-methylpiperazin-1-yl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 83010365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).