2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate

C18H31NO5 — CID 164933243

IUPAC2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
SMILESCOCCOC(=O)C1CCCCC1C(=O)OCCN1CCCCC1
InChIInChI=1S/C18H31NO5/c1-22-13-14-24-18(21)16-8-4-3-7-15(16)17(20)23-12-11-19-9-5-2-6-10-19/h15-16H,2-14H2,1H3
InChIKeyUYCLXTNFAUAHEZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.01
Rot. Bonds8

About 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate

2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate (PubChem CID 164933243) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
PubChem CID164933243
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Name2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
SMILESCOCCOC(=O)C1CCCCC1C(=O)OCCN1CCCCC1
InChIInChI=1S/C18H31NO5/c1-22-13-14-24-18(21)16-8-4-3-7-15(16)17(20)23-12-11-19-9-5-2-6-10-19/h15-16H,2-14H2,1H3
InChIKeyUYCLXTNFAUAHEZ-UHFFFAOYSA-N
XLogP2.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
CID 23176009
4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
CID 164933248
2-O-(2-methoxyethyl) 1-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 91721705
1-(2-methoxyethyl)azocane
CID 47014834
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
1-O-[2-(dipropylamino)ethyl] 2-O-(2-methoxyethyl) cyclohexane-1,2-dicarboxylate
CID 164933306
2-piperidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22955728
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate
CID 69190855
2-piperidin-1-ylethyl adamantane-2-carboxylate
CID 59383787
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18463283

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate?
The IUPAC name of 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate (CID 164933243) is 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate?
The canonical SMILES for 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate is COCCOC(=O)C1CCCCC1C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate?
The InChIKey is UYCLXTNFAUAHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5/c1-22-13-14-24-18(21)16-8-4-3-7-15(16)17(20)23-12-11-19-9-5-2-6-10-19/h15-16H,2-14H2,1H3.
What are the key properties of 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate?
2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate has a molecular weight of 341.45 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 164933243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).