1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride

C15H21ClNO4- — CID 53352536

IUPAC1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
SMILESCOc1ccc(C(=O)OC(C)CN2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C15H21NO4.ClH/c1-12(11-16-7-9-19-10-8-16)20-15(17)13-3-5-14(18-2)6-4-13;/h3-6,12H,7-11H2,1-2H3;1H/p-1
InChIKeyVZAOMCBDKKDNJI-UHFFFAOYSA-M
MW314.79 g/mol
LogP-1.42
Rot. Bonds5

About 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride

1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride (PubChem CID 53352536) has the molecular formula C15H21ClNO4- and a molecular weight of 314.79 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
PubChem CID53352536
Molecular FormulaC15H21ClNO4-
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
SMILESCOc1ccc(C(=O)OC(C)CN2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C15H21NO4.ClH/c1-12(11-16-7-9-19-10-8-16)20-15(17)13-3-5-14(18-2)6-4-13;/h3-6,12H,7-11H2,1-2H3;1H/p-1
InChIKeyVZAOMCBDKKDNJI-UHFFFAOYSA-M
XLogP-1.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride (CID 53352536) is 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride is COc1ccc(C(=O)OC(C)CN2CCOCC2)cc1.[Cl-].
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride?
The InChIKey is VZAOMCBDKKDNJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO4.ClH/c1-12(11-16-7-9-19-10-8-16)20-15(17)13-3-5-14(18-2)6-4-13;/h3-6,12H,7-11H2,1-2H3;1H/p-1.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride?
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride has a molecular weight of 314.79 g/mol, XLogP of -1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride is sourced from PubChem (CID 53352536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).