3,4-diethylpiperidine-4-carboxylic acid

C10H19NO2 — CID 90688924

IUPAC3,4-diethylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(CC)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-8-7-11-6-5-10(8,4-2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOJTJVUWZSGTLMX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds3

About 3,4-diethylpiperidine-4-carboxylic acid

3,4-diethylpiperidine-4-carboxylic acid (PubChem CID 90688924) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,4-diethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3,4-diethylpiperidine-4-carboxylic acid
PubChem CID90688924
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,4-diethylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(CC)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-8-7-11-6-5-10(8,4-2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOJTJVUWZSGTLMX-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Piperidin-4-yl)propanoic acid
CID 1520806
2-(Piperidin-3-yl)acetic acid hydrochloride
CID 12514713
3-(Piperidin-4-yl)propanoic acid hydrochloride
CID 21198547
2-(Piperidin-4-yl)propanoic acid hydrochloride
CID 47000778
4-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 50944202
4-Ethylpiperidine-4-carboxylic acid
CID 50944203
4-Methylpiperidine-4-carboxylic acid hydrochloride
CID 51000379
Methyl 2-methyl-2-(piperidin-3-yl)propanoate
CID 66887929
3-Methylpiperidine-4-carboxylic acid hydrochloride
CID 69169077
2-[(3R)-piperidin-3-yl]acetic acid hydrochloride
CID 69293804
2-Methyl-2-(piperidin-4-yl)propanoic acid hydrochloride
CID 69908252
2-((3S)-piperidin-3-yl)acetic acid hydrochloride
CID 71742037

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylpiperidine-4-carboxylic acid?
The IUPAC name of 3,4-diethylpiperidine-4-carboxylic acid (CID 90688924) is 3,4-diethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3,4-diethylpiperidine-4-carboxylic acid?
The canonical SMILES for 3,4-diethylpiperidine-4-carboxylic acid is CCC1CNCCC1(CC)C(=O)O.
What is the InChIKey of 3,4-diethylpiperidine-4-carboxylic acid?
The InChIKey is OJTJVUWZSGTLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8-7-11-6-5-10(8,4-2)9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3,4-diethylpiperidine-4-carboxylic acid?
3,4-diethylpiperidine-4-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 90688924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).