1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid

C13H24N2O2 — CID 114994922

IUPAC1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCC(N)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-3-2-6-13(9-10,12(16)17)15-7-4-11(14)5-8-15/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyBXNYKRBVGABMKK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.44
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid

1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 114994922) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
PubChem CID114994922
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCC(N)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10-3-2-6-13(9-10,12(16)17)15-7-4-11(14)5-8-15/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyBXNYKRBVGABMKK-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
CID 79695262
3-methyl-1-(1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 62267893
3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 61292826
3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 65419883
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114990462
3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 64745091
1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235388
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61291676
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235061

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid (CID 114994922) is 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(C(=O)O)(N2CCC(N)CC2)C1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is BXNYKRBVGABMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-3-2-6-13(9-10,12(16)17)15-7-4-11(14)5-8-15/h10-11H,2-9,14H2,1H3,(H,16,17).
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid?
1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114994922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).