3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid

C16H30N2O2 — CID 79641319

IUPAC3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(N2CC(C)CCC2C)C1
InChIInChI=1S/C16H30N2O2/c1-4-17-16(15(19)20)9-5-6-14(10-16)18-11-12(2)7-8-13(18)3/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyMLBFEGWFOWASKQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds4

About 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid

3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid (PubChem CID 79641319) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
PubChem CID79641319
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(N2CC(C)CCC2C)C1
InChIInChI=1S/C16H30N2O2/c1-4-17-16(15(19)20)9-5-6-14(10-16)18-11-12(2)7-8-13(18)3/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyMLBFEGWFOWASKQ-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexyl]methanol
CID 79640098
1-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 102886193
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 114596405
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
1-(ethylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79637046
3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636456
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79641407
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
[1-amino-3-(2,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79641278
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 82751462
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid (CID 79641319) is 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid is CCNC1(C(=O)O)CCCC(N2CC(C)CCC2C)C1.
What is the InChIKey of 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MLBFEGWFOWASKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-17-16(15(19)20)9-5-6-14(10-16)18-11-12(2)7-8-13(18)3/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid?
3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79641319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).