methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate

C13H23NO4 — CID 67405932

IUPACmethyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCN2CCOCC2)CC1
InChIInChI=1S/C13H23NO4/c1-16-13(15)11-2-4-12(5-3-11)18-10-14-6-8-17-9-7-14/h11-12H,2-10H2,1H3
InChIKeyOXSBDKZRMCCBAO-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.02
Rot. Bonds4

About methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate

methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate (PubChem CID 67405932) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate
PubChem CID67405932
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCN2CCOCC2)CC1
InChIInChI=1S/C13H23NO4/c1-16-13(15)11-2-4-12(5-3-11)18-10-14-6-8-17-9-7-14/h11-12H,2-10H2,1H3
InChIKeyOXSBDKZRMCCBAO-UHFFFAOYSA-N
XLogP1.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate (CID 67405932) is methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate is COC(=O)C1CCC(OCN2CCOCC2)CC1.
What is the InChIKey of methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate?
The InChIKey is OXSBDKZRMCCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-16-13(15)11-2-4-12(5-3-11)18-10-14-6-8-17-9-7-14/h11-12H,2-10H2,1H3.
What are the key properties of methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate?
methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(morpholin-4-ylmethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 67405932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).