2-morpholin-4-ylethyl benzoate;hydrochloride

C13H18ClNO3 — CID 2836419

IUPAC2-morpholin-4-ylethyl benzoate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO3.ClH/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14;/h1-5H,6-11H2;1H
InChIKeyVXYSPNUAILKSDI-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.60
Rot. Bonds4

About 2-morpholin-4-ylethyl benzoate;hydrochloride

2-morpholin-4-ylethyl benzoate;hydrochloride (PubChem CID 2836419) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl benzoate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl benzoate;hydrochloride
PubChem CID2836419
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-morpholin-4-ylethyl benzoate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO3.ClH/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14;/h1-5H,6-11H2;1H
InChIKeyVXYSPNUAILKSDI-UHFFFAOYSA-N
XLogP1.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl benzoate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl benzoate;hydrochloride (CID 2836419) is 2-morpholin-4-ylethyl benzoate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl benzoate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl benzoate;hydrochloride is Cl.O=C(OCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-ylethyl benzoate;hydrochloride?
The InChIKey is VXYSPNUAILKSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14;/h1-5H,6-11H2;1H.
What are the key properties of 2-morpholin-4-ylethyl benzoate;hydrochloride?
2-morpholin-4-ylethyl benzoate;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl benzoate;hydrochloride is sourced from PubChem (CID 2836419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).