2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid

C11H15N3O2 — CID 6484238

IUPAC2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)10-8-9(11(15)16)2-3-12-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyOXVRAMAPGBJUBN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.53
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid

2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid (PubChem CID 6484238) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
PubChem CID6484238
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)10-8-9(11(15)16)2-3-12-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyOXVRAMAPGBJUBN-UHFFFAOYSA-N
XLogP0.53
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid (CID 6484238) is 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid is CN1CCN(c2cc(C(=O)O)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is OXVRAMAPGBJUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)10-8-9(11(15)16)2-3-12-10/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 6484238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).