4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid

C12H24N2O2 — CID 43803639

IUPAC4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(N(CC)CC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-9-7-12(8-10-13,11(15)16)14(5-2)6-3/h4-10H2,1-3H3,(H,15,16)
InChIKeyNQNDTQSDGQWUEG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.27
Rot. Bonds5

About 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid

4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid (PubChem CID 43803639) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
PubChem CID43803639
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(N(CC)CC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-9-7-12(8-10-13,11(15)16)14(5-2)6-3/h4-10H2,1-3H3,(H,15,16)
InChIKeyNQNDTQSDGQWUEG-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
4-[acetyl(propyl)amino]-1-ethylazepane-4-carboxylic acid
CID 65075816
1-ethyl-4-[formyl(propyl)amino]azepane-4-carboxylic acid
CID 65076167
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
3-(diethylamino)azetidine-3-carboxylic acid
CID 105435137
1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 80699020
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid (CID 43803639) is 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid is CCN1CCC(C(=O)O)(N(CC)CC)CC1.
What is the InChIKey of 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid?
The InChIKey is NQNDTQSDGQWUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13-9-7-12(8-10-13,11(15)16)14(5-2)6-3/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid?
4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 43803639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).