1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride

C14H18Cl3NO3 — CID 2913357

IUPAC1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H17Cl2NO3.ClH/c1-10(9-17-4-6-19-7-5-17)20-14(18)12-3-2-11(15)8-13(12)16;/h2-3,8,10H,4-7,9H2,1H3;1H
InChIKeyPOQJDOYPSNKNIB-UHFFFAOYSA-N
MW354.66 g/mol
LogP3.29
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride

1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride (PubChem CID 2913357) has the molecular formula C14H18Cl3NO3 and a molecular weight of 354.66 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride
PubChem CID2913357
Molecular FormulaC14H18Cl3NO3
Molecular Weight354.66 g/mol
Exact Mass353.04
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H17Cl2NO3.ClH/c1-10(9-17-4-6-19-7-5-17)20-14(18)12-3-2-11(15)8-13(12)16;/h2-3,8,10H,4-7,9H2,1H3;1H
InChIKeyPOQJDOYPSNKNIB-UHFFFAOYSA-N
XLogP3.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 53.29
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 2,4-dichlorobenzoate;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride (CID 2913357) is 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride is CC(CN1CCOCC1)OC(=O)c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride?
The InChIKey is POQJDOYPSNKNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3.ClH/c1-10(9-17-4-6-19-7-5-17)20-14(18)12-3-2-11(15)8-13(12)16;/h2-3,8,10H,4-7,9H2,1H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride?
1-morpholin-4-ylpropan-2-yl 2,4-dichlorobenzoate;hydrochloride has a molecular weight of 354.66 g/mol, XLogP of 3.29, 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 2,4-dichlorobenzoate;hydrochloride is sourced from PubChem (CID 2913357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).