2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride

C13H26ClNO4 — CID 21150297

IUPAC2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride
SMILESCl.O.O=C(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H23NO3.ClH.H2O/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14;;/h12H,1-11H2;1H;1H2
InChIKeyLZCHGCKPDUJHJL-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.04
Rot. Bonds4

About 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride

2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride (PubChem CID 21150297) has the molecular formula C13H26ClNO4 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride
PubChem CID21150297
Molecular FormulaC13H26ClNO4
Molecular Weight295.81 g/mol
Exact Mass295.16
IUPAC Name2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride
SMILESCl.O.O=C(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C13H23NO3.ClH.H2O/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14;;/h12H,1-11H2;1H;1H2
InChIKeyLZCHGCKPDUJHJL-UHFFFAOYSA-N
XLogP1.04
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cyprodenate
CID 71875
Ethanol, 2,2'-(1,4-piperazinylene)di-, dicyclohexylcarboxylate, dihydrochloride
CID 48612
2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-
CID 206742
trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride
CID 206744
Cyclohexanecarboxylic acid, 2-methyl-, (2-diethylaminoethyl)ester, hydrochloride, (E)-
CID 206746
Cyclohexanecarboxylic acid, 2-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, (Z)-
CID 213342
Cyclohexaneacetic acid, 1-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride
CID 3053871
(1-Methylpiperidin-3-yl) cyclohexanecarboxylate
CID 4138791
2-[4-[2-(Cyclohexanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclohexanecarboxylate
CID 48613
cis-2-(diethylamino)ethyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 206743
2-(Diethylamino)ethyl 4-methylcyclohexane-1-carboxylate
CID 206745
2-Morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate
CID 3053872

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride (CID 21150297) is 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride is Cl.O.O=C(OCCN1CCOCC1)C1CCCCC1.
What is the InChIKey of 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride?
The InChIKey is LZCHGCKPDUJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3.ClH.H2O/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14;;/h12H,1-11H2;1H;1H2.
What are the key properties of 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride?
2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl cyclohexanecarboxylate;hydrate;hydrochloride is sourced from PubChem (CID 21150297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).