2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid

C17H31NO2 — CID 104599223

IUPAC2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid
SMILESCC1CCC(C(C)C)C(N2CCCCC2(C)C(=O)O)C1
InChIInChI=1S/C17H31NO2/c1-12(2)14-8-7-13(3)11-15(14)18-10-6-5-9-17(18,4)16(19)20/h12-15H,5-11H2,1-4H3,(H,19,20)
InChIKeyLOCAIPDIPMGKAS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.78
Rot. Bonds3

About 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid

2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid (PubChem CID 104599223) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid
PubChem CID104599223
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid
SMILESCC1CCC(C(C)C)C(N2CCCCC2(C)C(=O)O)C1
InChIInChI=1S/C17H31NO2/c1-12(2)14-8-7-13(3)11-15(14)18-10-6-5-9-17(18,4)16(19)20/h12-15H,5-11H2,1-4H3,(H,19,20)
InChIKeyLOCAIPDIPMGKAS-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 113431183
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
4-ethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 65066159
1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 104599255
1-(2-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65070972
2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
CID 104599300
(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
CID 70597655
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67695607
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid (CID 104599223) is 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid is CC1CCC(C(C)C)C(N2CCCCC2(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid?
The InChIKey is LOCAIPDIPMGKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12(2)14-8-7-13(3)11-15(14)18-10-6-5-9-17(18,4)16(19)20/h12-15H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid?
2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid has a molecular weight of 281.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104599223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).