4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid

C14H21N3O2 — CID 81052987

IUPAC4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCN(C)C(C)C2)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H21N3O2/c1-9-7-12(13(14(18)19)11(3)15-9)17-6-5-16(4)10(2)8-17/h7,10H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyNKVPCHBWSFTZPF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.54
Rot. Bonds2

About 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid

4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81052987) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81052987
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCN(C)C(C)C2)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H21N3O2/c1-9-7-12(13(14(18)19)11(3)15-9)17-6-5-16(4)10(2)8-17/h7,10H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyNKVPCHBWSFTZPF-UHFFFAOYSA-N
XLogP1.54
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid (CID 81052987) is 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(N2CCN(C)C(C)C2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is NKVPCHBWSFTZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-7-12(13(14(18)19)11(3)15-9)17-6-5-16(4)10(2)8-17/h7,10H,5-6,8H2,1-4H3,(H,18,19).
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid?
4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81052987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).