4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid

C10H19NO3 — CID 138039479

IUPAC4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid
SMILESCOCCC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C10H19NO3/c1-11-6-3-10(4-7-11,9(12)13)5-8-14-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyQVPJYXUWINVLGH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid

4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid (PubChem CID 138039479) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid
PubChem CID138039479
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid
SMILESCOCCC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C10H19NO3/c1-11-6-3-10(4-7-11,9(12)13)5-8-14-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyQVPJYXUWINVLGH-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid (CID 138039479) is 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid is COCCC1(C(=O)O)CCN(C)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is QVPJYXUWINVLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11-6-3-10(4-7-11,9(12)13)5-8-14-2/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid?
4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 138039479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).