methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate

C15H27NO4 — CID 158261910

IUPACmethyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
SMILESCOC(=O)C1CCCCC1.COC(=O)C1CCNCC1
InChIInChI=1S/C8H14O2.C7H13NO2/c1-10-8(9)7-5-3-2-4-6-7;1-10-7(9)6-2-4-8-5-3-6/h7H,2-6H2,1H3;6,8H,2-5H2,1H3
InChIKeyGHYXIWMIPYHUKZ-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.90
Rot. Bonds2

About methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate

methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate (PubChem CID 158261910) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
PubChem CID158261910
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
SMILESCOC(=O)C1CCCCC1.COC(=O)C1CCNCC1
InChIInChI=1S/C8H14O2.C7H13NO2/c1-10-8(9)7-5-3-2-4-6-7;1-10-7(9)6-2-4-8-5-3-6/h7H,2-6H2,1H3;6,8H,2-5H2,1H3
InChIKeyGHYXIWMIPYHUKZ-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4R)-azepane-4-carboxylate
CID 45090253
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
CID 162270399
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
methyl 5-oxocyclodecane-1-carboxylate
CID 14288663
cyclopentanecarboxylic acid;methyl cyclopentanecarboxylate;bis(sulfur trioxide)
CID 160909551
methyl 2-piperidin-4-ylpiperidine-4-carboxylate
CID 105484069

Frequently Asked Questions

What is the IUPAC name of methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate?
The IUPAC name of methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate (CID 158261910) is methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate.
What is the SMILES notation for methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate?
The canonical SMILES for methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate is COC(=O)C1CCCCC1.COC(=O)C1CCNCC1.
What is the InChIKey of methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate?
The InChIKey is GHYXIWMIPYHUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H13NO2/c1-10-8(9)7-5-3-2-4-6-7;1-10-7(9)6-2-4-8-5-3-6/h7H,2-6H2,1H3;6,8H,2-5H2,1H3.
What are the key properties of methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate?
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate is sourced from PubChem (CID 158261910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).