1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride

C15H21Cl2NO3 — CID 2928075

IUPAC1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClNO3.ClH/c1-12(11-17-6-8-19-9-7-17)20-15(18)10-13-2-4-14(16)5-3-13;/h2-5,12H,6-11H2,1H3;1H
InChIKeyYCTLKKIVHZJTDH-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.57
Rot. Bonds5

About 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride

1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride (PubChem CID 2928075) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride
PubChem CID2928075
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride
SMILESCC(CN1CCOCC1)OC(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClNO3.ClH/c1-12(11-17-6-8-19-9-7-17)20-15(18)10-13-2-4-14(16)5-3-13;/h2-5,12H,6-11H2,1H3;1H
InChIKeyYCTLKKIVHZJTDH-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Morpholinopropan-2-yl 3-chlorobenzoate hydrochloride
CID 2912130
1-Methyl-2-(4-morpholinyl)ethyl phenylacetate hydrochloride
CID 2928204
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
1-(2,6-Dimethylpiperidin-1-yl)propan-2-yl 4-chlorobenzoate
CID 4400694
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 4638997
(4-Chloro-phenyl)-acetic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 23724356
2-Piperidin-1-ylethyl 4-chlorobenzoate;hydrochloride
CID 2836405
1-(Piperidin-1-YL)propan-2-YL 4-chlorobenzoate hydrochloride
CID 2911435
AC-915
CID 5236783
4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxylic acid ethyl ester
CID 11267111
1-Morpholinopropan-2-yl 2,4-dichlorobenzoate hydrochloride
CID 2913357
1-Methylpiperidin-4-YL 2-(4-chlorophenyl)acetate hydrochloride
CID 2948685

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride (CID 2928075) is 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride is CC(CN1CCOCC1)OC(=O)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride?
The InChIKey is YCTLKKIVHZJTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3.ClH/c1-12(11-17-6-8-19-9-7-17)20-15(18)10-13-2-4-14(16)5-3-13;/h2-5,12H,6-11H2,1H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride?
1-morpholin-4-ylpropan-2-yl 2-(4-chlorophenyl)acetate;hydrochloride has a molecular weight of 334.24 g/mol, XLogP of 2.57, 5 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-chlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 2928075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).