1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride

C14H19Cl2NO3 — CID 2912130

IUPAC1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H18ClNO3.ClH/c1-11(10-16-5-7-18-8-6-16)19-14(17)12-3-2-4-13(15)9-12;/h2-4,9,11H,5-8,10H2,1H3;1H
InChIKeyWQSLLWYBEMIAES-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.64
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride

1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride (PubChem CID 2912130) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride
PubChem CID2912130
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H18ClNO3.ClH/c1-11(10-16-5-7-18-8-6-16)19-14(17)12-3-2-4-13(15)9-12;/h2-4,9,11H,5-8,10H2,1H3;1H
InChIKeyWQSLLWYBEMIAES-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.64
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 3-chlorobenzoate;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride (CID 2912130) is 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride is CC(CN1CCOCC1)OC(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride?
The InChIKey is WQSLLWYBEMIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3.ClH/c1-11(10-16-5-7-18-8-6-16)19-14(17)12-3-2-4-13(15)9-12;/h2-4,9,11H,5-8,10H2,1H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride?
1-morpholin-4-ylpropan-2-yl 3-chlorobenzoate;hydrochloride has a molecular weight of 320.22 g/mol, XLogP of 2.64, 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 3-chlorobenzoate;hydrochloride is sourced from PubChem (CID 2912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).