1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid

C13H24N2O2 — CID 79636119

IUPAC1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCN1C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C13H24N2O2/c1-10-5-2-3-8-15(10)11-6-4-7-13(14,9-11)12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyNFRWGYYRDVGUEG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.59
Rot. Bonds2

About 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid

1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79636119) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79636119
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCCN1C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C13H24N2O2/c1-10-5-2-3-8-15(10)11-6-4-7-13(14,9-11)12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyNFRWGYYRDVGUEG-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114596385
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103
1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79641627
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79637066
ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
1-amino-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxamide
CID 83062060
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642332

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 79636119) is 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCCCN1C1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is NFRWGYYRDVGUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-5-2-3-8-15(10)11-6-4-7-13(14,9-11)12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17).
What are the key properties of 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79636119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).