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

C14H19Cl2NO3 — CID 2913162

IUPAC1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C14H18ClNO3.ClH/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-4-2-3-5-13(12)15;/h2-5,11H,6-10H2,1H3;1H
InChIKeyJTEXFRXXQYCYEW-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.64
Rot. Bonds4

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

1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride (PubChem CID 2913162) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
PubChem CID2913162
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C14H18ClNO3.ClH/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-4-2-3-5-13(12)15;/h2-5,11H,6-10H2,1H3;1H
InChIKeyJTEXFRXXQYCYEW-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

Analyze 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
1-(2,6-dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate
CID 4139253
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
CID 52998166
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate
CID 95338828
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate
CID 1327012

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride (CID 2913162) is 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride is CC(CN1CCOCC1)OC(=O)c1ccccc1Cl.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride?
The InChIKey is JTEXFRXXQYCYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3.ClH/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-4-2-3-5-13(12)15;/h2-5,11H,6-10H2,1H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride?
1-morpholin-4-ylpropan-2-yl 2-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 2-chlorobenzoate;hydrochloride is sourced from PubChem (CID 2913162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).