1-methyl-4-(methylamino)piperidine-2-carboxylic acid

C8H16N2O2 — CID 59398107

IUPAC1-methyl-4-(methylamino)piperidine-2-carboxylic acid
SMILESCNC1CCN(C)C(C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-9-6-3-4-10(2)7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyBPVWJIAYDFJXPG-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds2

About 1-methyl-4-(methylamino)piperidine-2-carboxylic acid

1-methyl-4-(methylamino)piperidine-2-carboxylic acid (PubChem CID 59398107) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(methylamino)piperidine-2-carboxylic acid
PubChem CID59398107
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-methyl-4-(methylamino)piperidine-2-carboxylic acid
SMILESCNC1CCN(C)C(C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-9-6-3-4-10(2)7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyBPVWJIAYDFJXPG-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)piperidine-2-carboxylic acid?
The IUPAC name of 1-methyl-4-(methylamino)piperidine-2-carboxylic acid (CID 59398107) is 1-methyl-4-(methylamino)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(methylamino)piperidine-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-(methylamino)piperidine-2-carboxylic acid is CNC1CCN(C)C(C(=O)O)C1.
What is the InChIKey of 1-methyl-4-(methylamino)piperidine-2-carboxylic acid?
The InChIKey is BPVWJIAYDFJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-6-3-4-10(2)7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-4-(methylamino)piperidine-2-carboxylic acid?
1-methyl-4-(methylamino)piperidine-2-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 59398107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).