1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid

C15H27NO2 — CID 65069203

IUPAC1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(N2CCCC(C)(C(=O)O)C2)C(C)C1
InChIInChI=1S/C15H27NO2/c1-11-5-6-13(12(2)9-11)16-8-4-7-15(3,10-16)14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyQWFIAUCQZXJEEL-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds2

About 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid

1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 65069203) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID65069203
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(N2CCCC(C)(C(=O)O)C2)C(C)C1
InChIInChI=1S/C15H27NO2/c1-11-5-6-13(12(2)9-11)16-8-4-7-15(3,10-16)14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyQWFIAUCQZXJEEL-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid (CID 65069203) is 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid is CC1CCC(N2CCCC(C)(C(=O)O)C2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is QWFIAUCQZXJEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-5-6-13(12(2)9-11)16-8-4-7-15(3,10-16)14(17)18/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid?
1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 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)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65069203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).