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

C14H20ClNO3 — CID 16682374

IUPAC1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-12(11-15-7-9-17-10-8-15)18-14(16)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H
InChIKeyXQCXOWQFNDOFRT-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.99
Rot. Bonds4

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

1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride (PubChem CID 16682374) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride
PubChem CID16682374
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-12(11-15-7-9-17-10-8-15)18-14(16)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H
InChIKeyXQCXOWQFNDOFRT-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.99
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 benzoate;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride (CID 16682374) is 1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride is CC(CN1CCOCC1)OC(=O)c1ccccc1.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride?
The InChIKey is XQCXOWQFNDOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-12(11-15-7-9-17-10-8-15)18-14(16)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride?
1-morpholin-4-ylpropan-2-yl benzoate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.99, 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 benzoate;hydrochloride is sourced from PubChem (CID 16682374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).