1,1-diethylpiperidin-1-ium-2-carboxylic acid

C10H20NO2+ — CID 171384133

IUPAC1,1-diethylpiperidin-1-ium-2-carboxylic acid
SMILESCC[N+]1(CC)CCCCC1C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-11(4-2)8-6-5-7-9(11)10(12)13/h9H,3-8H2,1-2H3/p+1
InChIKeyBPBKFCNOZOHKGW-UHFFFAOYSA-O
MW186.27 g/mol
LogP1.48
Rot. Bonds3

About 1,1-diethylpiperidin-1-ium-2-carboxylic acid

1,1-diethylpiperidin-1-ium-2-carboxylic acid (PubChem CID 171384133) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is 1,1-diethylpiperidin-1-ium-2-carboxylic acid.

Molecular Properties

Compound Name1,1-diethylpiperidin-1-ium-2-carboxylic acid
PubChem CID171384133
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1,1-diethylpiperidin-1-ium-2-carboxylic acid
SMILESCC[N+]1(CC)CCCCC1C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-11(4-2)8-6-5-7-9(11)10(12)13/h9H,3-8H2,1-2H3/p+1
InChIKeyBPBKFCNOZOHKGW-UHFFFAOYSA-O
XLogP1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-diethylpiperidin-1-ium-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Homostachydrine
CID 441447
2-(Piperidin-1-yl)propanoic acid hydrochloride
CID 12455410
1-[(Tert-butoxy)carbonyl]piperidine-2-carboxylic acid
CID 581831
(2R)-1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid
CID 688618
1-Methylpiperidine-2-carboxylic acid
CID 415939
(2R)-1-methylpiperidine-2-carboxylic acid
CID 11286529
N-hydroxypipecolic acid
CID 269025
1,6-dimethylpiperidine-2-carboxylic Acid
CID 4457948
Ethyl 1-methylpiperidine-2-carboxylate
CID 566742
(2S)-1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acid
CID 688617
1-Acetylpiperidine-2-carboxylic acid
CID 4472712
N-hydroxy-L-pipecolic acid
CID 92246037

Frequently Asked Questions

What is the IUPAC name of 1,1-diethylpiperidin-1-ium-2-carboxylic acid?
The IUPAC name of 1,1-diethylpiperidin-1-ium-2-carboxylic acid (CID 171384133) is 1,1-diethylpiperidin-1-ium-2-carboxylic acid.
What is the SMILES notation for 1,1-diethylpiperidin-1-ium-2-carboxylic acid?
The canonical SMILES for 1,1-diethylpiperidin-1-ium-2-carboxylic acid is CC[N+]1(CC)CCCCC1C(=O)O.
What is the InChIKey of 1,1-diethylpiperidin-1-ium-2-carboxylic acid?
The InChIKey is BPBKFCNOZOHKGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO2/c1-3-11(4-2)8-6-5-7-9(11)10(12)13/h9H,3-8H2,1-2H3/p+1.
What are the key properties of 1,1-diethylpiperidin-1-ium-2-carboxylic acid?
1,1-diethylpiperidin-1-ium-2-carboxylic acid has a molecular weight of 186.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylpiperidin-1-ium-2-carboxylic acid is sourced from PubChem (CID 171384133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).