methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate

C13H23NO3 — CID 115882935

IUPACmethyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C1CCC(C)CC1
InChIInChI=1S/C13H23NO3/c1-10-3-5-11(6-4-10)14-7-8-17-9-12(14)13(15)16-2/h10-12H,3-9H2,1-2H3
InChIKeyRJWZPXOANDPRNX-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.44
Rot. Bonds2

About methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate

methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate (PubChem CID 115882935) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
PubChem CID115882935
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C1CCC(C)CC1
InChIInChI=1S/C13H23NO3/c1-10-3-5-11(6-4-10)14-7-8-17-9-12(14)13(15)16-2/h10-12H,3-9H2,1-2H3
InChIKeyRJWZPXOANDPRNX-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
CID 104774968
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
CID 170423315
4-cyclopropylmorpholine-3-carboxamide
CID 67153953
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
N-cyclopropyl-4-[4-(methylamino)cyclohexyl]morpholine-3-carboxamide
CID 114763535
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate
CID 104774503
4-(4-aminocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83103910
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate (CID 115882935) is methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C1CCC(C)CC1.
What is the InChIKey of methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate?
The InChIKey is RJWZPXOANDPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-3-5-11(6-4-10)14-7-8-17-9-12(14)13(15)16-2/h10-12H,3-9H2,1-2H3.
What are the key properties of methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate?
methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate is sourced from PubChem (CID 115882935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).