(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate

C19H33NO3 — CID 138319534

IUPAC(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate
SMILESO=C(OC(CN1CCOCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3/c21-19(17-9-5-2-6-10-17)23-18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h16-18H,1-15H2
InChIKeyFXKZKZLEQBKJTN-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.39
Rot. Bonds5

About (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate

(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate (PubChem CID 138319534) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate
PubChem CID138319534
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate
SMILESO=C(OC(CN1CCOCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3/c21-19(17-9-5-2-6-10-17)23-18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h16-18H,1-15H2
InChIKeyFXKZKZLEQBKJTN-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dihexyverine
CID 21788
1-(2-Cyclohexyl-2-oxo-acetyl)-piperidine-2-carboxylic acid 3-cyclohexyl-propyl ester
CID 15380473
Cyclohexanecarboxylic acid, 4-piperidinocyclohexyl ester
CID 200342
Cyclohexanecarboxylic acid, 4-piperidinocyclohexyl ester, hydrochloride
CID 200343
Dihexyverine Hydrochloride
CID 5744890
(1-Methylpiperidin-3-yl) cyclohexanecarboxylate
CID 4138791
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 58855503
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 89623963
Ethyl 1-[2-[4-[(3-fluorocyclohexyl)methyl]cyclohexyl]oxyethyl]piperidine-4-carboxylate
CID 140449733
Ethyl 1-[2-[4-[(4-fluorocyclohexyl)methyl]cyclohexyl]oxyethyl]piperidine-4-carboxylate
CID 140449862
2-[4-[2-(Cyclohexanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclohexanecarboxylate
CID 48613
2-(Azepan-1-yl)ethyl 2,2-dicyclohexylacetate
CID 10960004

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate?
The IUPAC name of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate (CID 138319534) is (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate.
What is the SMILES notation for (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate?
The canonical SMILES for (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate is O=C(OC(CN1CCOCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate?
The InChIKey is FXKZKZLEQBKJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c21-19(17-9-5-2-6-10-17)23-18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h16-18H,1-15H2.
What are the key properties of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate?
(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate has a molecular weight of 323.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate is sourced from PubChem (CID 138319534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).