1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid

C15H27NO2 — CID 113431183

IUPAC1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1CCC(N2CCCCC2(C)C(=O)O)C(C)C1
InChIInChI=1S/C15H27NO2/c1-11-6-7-13(12(2)10-11)16-9-5-4-8-15(16,3)14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyPOBCTDPQGCQIKD-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds2

About 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid

1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 113431183) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID113431183
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1CCC(N2CCCCC2(C)C(=O)O)C(C)C1
InChIInChI=1S/C15H27NO2/c1-11-6-7-13(12(2)10-11)16-9-5-4-8-15(16,3)14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyPOBCTDPQGCQIKD-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-2-carboxylic acid
CID 104599223
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 104599255
1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
CID 65069203
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
1-(2-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65070972
2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
CID 104599068
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597861
1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
1-(4-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071175

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid (CID 113431183) is 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid is CC1CCC(N2CCCCC2(C)C(=O)O)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is POBCTDPQGCQIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-6-7-13(12(2)10-11)16-9-5-4-8-15(16,3)14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid?
1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).