2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride

C14H20ClNO4 — CID 2836400

IUPAC2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
SMILESCOc1ccc(C(=O)OCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C14H19NO4.ClH/c1-17-13-4-2-12(3-5-13)14(16)19-11-8-15-6-9-18-10-7-15;/h2-5H,6-11H2,1H3;1H
InChIKeyIZDYEDJMHACGPO-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.61
Rot. Bonds5

About 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride

2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride (PubChem CID 2836400) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
PubChem CID2836400
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
SMILESCOc1ccc(C(=O)OCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C14H19NO4.ClH/c1-17-13-4-2-12(3-5-13)14(16)19-11-8-15-6-9-18-10-7-15;/h2-5H,6-11H2,1H3;1H
InChIKeyIZDYEDJMHACGPO-UHFFFAOYSA-N
XLogP1.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
2-morpholin-4-ylethyl 4-ethynylbenzoate;hydrochloride
CID 71386007
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 58740461
2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 12073682
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
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4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride (CID 2836400) is 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride is COc1ccc(C(=O)OCCN2CCOCC2)cc1.Cl.
What is the InChIKey of 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride?
The InChIKey is IZDYEDJMHACGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4.ClH/c1-17-13-4-2-12(3-5-13)14(16)19-11-8-15-6-9-18-10-7-15;/h2-5H,6-11H2,1H3;1H.
What are the key properties of 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride?
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride is sourced from PubChem (CID 2836400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).