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

C19H34ClNO3 — CID 138319667

IUPAC(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride
SMILESCl.O=C(OC(CN1CCOCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3.ClH/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;1H
InChIKeyVQBLLXNHDPTWQO-UHFFFAOYSA-N
MW359.94 g/mol
LogP3.81
Rot. Bonds5

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

(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride (PubChem CID 138319667) has the molecular formula C19H34ClNO3 and a molecular weight of 359.94 g/mol. Its IUPAC name is (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride.

Molecular Properties

Compound Name(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride
PubChem CID138319667
Molecular FormulaC19H34ClNO3
Molecular Weight359.94 g/mol
Exact Mass359.22
IUPAC Name(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride
SMILESCl.O=C(OC(CN1CCOCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33NO3.ClH/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;1H
InChIKeyVQBLLXNHDPTWQO-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride?
The IUPAC name of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride (CID 138319667) is (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride.
What is the SMILES notation for (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride?
The canonical SMILES for (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride is Cl.O=C(OC(CN1CCOCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride?
The InChIKey is VQBLLXNHDPTWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3.ClH/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;1H.
What are the key properties of (1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride?
(1-cyclohexyl-2-morpholin-4-ylethyl) cyclohexanecarboxylate;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 3.81, 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;hydrochloride is sourced from PubChem (CID 138319667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).