1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride

C15H22ClNO3 — CID 2928210

IUPAC1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride
SMILESCc1ccc(C(=O)OC(C)CN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-12-3-5-14(6-4-12)15(17)19-13(2)11-16-7-9-18-10-8-16;/h3-6,13H,7-11H2,1-2H3;1H
InChIKeyOCXYSRVLWRRDJO-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.29
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride

1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride (PubChem CID 2928210) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride
PubChem CID2928210
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride
SMILESCc1ccc(C(=O)OC(C)CN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-12-3-5-14(6-4-12)15(17)19-13(2)11-16-7-9-18-10-8-16;/h3-6,13H,7-11H2,1-2H3;1H
InChIKeyOCXYSRVLWRRDJO-UHFFFAOYSA-N
XLogP2.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride (CID 2928210) is 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride is Cc1ccc(C(=O)OC(C)CN2CCOCC2)cc1.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride?
The InChIKey is OCXYSRVLWRRDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-12-3-5-14(6-4-12)15(17)19-13(2)11-16-7-9-18-10-8-16;/h3-6,13H,7-11H2,1-2H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride?
1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride is sourced from PubChem (CID 2928210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).