1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid

C12H24N2O2 — CID 114431248

IUPAC1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(CCN(C)C)C(C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-4-10-5-6-14(8-7-13(2)3)11(9-10)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyBWROEVBAPRFXIM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid

1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114431248) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114431248
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(CCN(C)C)C(C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-4-10-5-6-14(8-7-13(2)3)11(9-10)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyBWROEVBAPRFXIM-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254
4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 114431889
1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458
4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
CID 82905755
2-(5-ethyl-2,3,3-trimethylazepan-1-yl)-N,N-dimethylethanamine
CID 123420598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid (CID 114431248) is 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(CCN(C)C)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is BWROEVBAPRFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10-5-6-14(8-7-13(2)3)11(9-10)12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid?
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114431248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).