2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid

C11H22N2O2 — CID 54375666

IUPAC2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid
SMILESCN(C)CCC1(C(=O)O)CCCCN1C
InChIInChI=1S/C11H22N2O2/c1-12(2)9-7-11(10(14)15)6-4-5-8-13(11)3/h4-9H2,1-3H3,(H,14,15)
InChIKeyUWHYJLTUWYUEJF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid

2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid (PubChem CID 54375666) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid
PubChem CID54375666
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid
SMILESCN(C)CCC1(C(=O)O)CCCCN1C
InChIInChI=1S/C11H22N2O2/c1-12(2)9-7-11(10(14)15)6-4-5-8-13(11)3/h4-9H2,1-3H3,(H,14,15)
InChIKeyUWHYJLTUWYUEJF-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid (CID 54375666) is 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid is CN(C)CCC1(C(=O)O)CCCCN1C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid?
The InChIKey is UWHYJLTUWYUEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12(2)9-7-11(10(14)15)6-4-5-8-13(11)3/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid?
2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 54375666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).