1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid

C12H23N3O2 — CID 65420100

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CCN(C)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-5-3-12(4-6-13,11(16)17)15-9-7-14(2)8-10-15/h3-10H2,1-2H3,(H,16,17)
InChIKeyOXTRXOQUMLDDAD-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.22
Rot. Bonds2

About 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid

1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid (PubChem CID 65420100) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
PubChem CID65420100
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CCN(C)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-5-3-12(4-6-13,11(16)17)15-9-7-14(2)8-10-15/h3-10H2,1-2H3,(H,16,17)
InChIKeyOXTRXOQUMLDDAD-UHFFFAOYSA-N
XLogP-0.22
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid (CID 65420100) is 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid is CN1CCN(C2(C(=O)O)CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid?
The InChIKey is OXTRXOQUMLDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-5-3-12(4-6-13,11(16)17)15-9-7-14(2)8-10-15/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid?
1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65420100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).