4-(diethylaminomethyl)piperidine-1-carboxylic acid

C11H22N2O2 — CID 19976082

IUPAC4-(diethylaminomethyl)piperidine-1-carboxylic acid
SMILESCCN(CC)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-3-12(4-2)9-10-5-7-13(8-6-10)11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyBZTHEWDHBVRLSE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.72
Rot. Bonds4

About 4-(diethylaminomethyl)piperidine-1-carboxylic acid

4-(diethylaminomethyl)piperidine-1-carboxylic acid (PubChem CID 19976082) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(diethylaminomethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(diethylaminomethyl)piperidine-1-carboxylic acid
PubChem CID19976082
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(diethylaminomethyl)piperidine-1-carboxylic acid
SMILESCCN(CC)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-3-12(4-2)9-10-5-7-13(8-6-10)11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyBZTHEWDHBVRLSE-UHFFFAOYSA-N
XLogP1.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(diethylaminomethyl)piperidine-1-carboxylic acid (CID 19976082) is 4-(diethylaminomethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(diethylaminomethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(diethylaminomethyl)piperidine-1-carboxylic acid is CCN(CC)CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(diethylaminomethyl)piperidine-1-carboxylic acid?
The InChIKey is BZTHEWDHBVRLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12(4-2)9-10-5-7-13(8-6-10)11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-(diethylaminomethyl)piperidine-1-carboxylic acid?
4-(diethylaminomethyl)piperidine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 19976082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).