1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 79637066

IUPAC1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCOC1CCN(C2CCCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-18-11-4-7-15(8-5-11)10-3-2-6-13(14,9-10)12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyQNXRQDLTVFOAPR-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.82
Rot. Bonds3

About 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid

1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79637066) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79637066
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCOC1CCN(C2CCCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C13H24N2O3/c1-18-11-4-7-15(8-5-11)10-3-2-6-13(14,9-10)12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17)
InChIKeyQNXRQDLTVFOAPR-UHFFFAOYSA-N
XLogP0.82
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(4-propan-2-ylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642332
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-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79642243
1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexane-1-carboxamide
CID 79642191
methyl 1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carboxylate
CID 79633959
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230
1-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxylic acid
CID 79641590

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 79637066) is 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid is COC1CCN(C2CCCC(N)(C(=O)O)C2)CC1.
What is the InChIKey of 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is QNXRQDLTVFOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-11-4-7-15(8-5-11)10-3-2-6-13(14,9-10)12(16)17/h10-11H,2-9,14H2,1H3,(H,16,17).
What are the key properties of 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methoxypiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79637066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).