4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate

C17H30N2O5 — CID 164933248

IUPAC4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
SMILESCOCCOC(=O)C1CCC(C(=O)OCCN2CCNCC2)CC1
InChIInChI=1S/C17H30N2O5/c1-22-12-13-24-17(21)15-4-2-14(3-5-15)16(20)23-11-10-19-8-6-18-7-9-19/h14-15,18H,2-13H2,1H3
InChIKeyNHNMQYPSEKDLRN-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.43
Rot. Bonds8

About 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate

4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate (PubChem CID 164933248) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
PubChem CID164933248
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
SMILESCOCCOC(=O)C1CCC(C(=O)OCCN2CCNCC2)CC1
InChIInChI=1S/C17H30N2O5/c1-22-12-13-24-17(21)15-4-2-14(3-5-15)16(20)23-11-10-19-8-6-18-7-9-19/h14-15,18H,2-13H2,1H3
InChIKeyNHNMQYPSEKDLRN-UHFFFAOYSA-N
XLogP0.43
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl piperidine-4-carboxylate;hydrochloride
CID 118522364
2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
CID 164933243
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
2-piperazin-1-ylethyl carbonochloridate
CID 19711096
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
2-piperazin-1-ylethyl 2-iodopropanoate
CID 162508644
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
CID 104562881
2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
CID 23176009
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-methoxyethyl N-piperidin-4-ylcarbamate
CID 15676970
2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
CID 62823958
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate?
The IUPAC name of 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate (CID 164933248) is 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate.
What is the SMILES notation for 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate?
The canonical SMILES for 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate is COCCOC(=O)C1CCC(C(=O)OCCN2CCNCC2)CC1.
What is the InChIKey of 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate?
The InChIKey is NHNMQYPSEKDLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-22-12-13-24-17(21)15-4-2-14(3-5-15)16(20)23-11-10-19-8-6-18-7-9-19/h14-15,18H,2-13H2,1H3.
What are the key properties of 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate?
4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate has a molecular weight of 342.44 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate is sourced from PubChem (CID 164933248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).