morpholin-2-ylmethyl benzoate;hydrochloride

C12H16ClNO3 — CID 19777235

IUPACmorpholin-2-ylmethyl benzoate;hydrochloride
SMILESCl.O=C(OCC1CNCCO1)c1ccccc1
InChIInChI=1S/C12H15NO3.ClH/c14-12(10-4-2-1-3-5-10)16-9-11-8-13-6-7-15-11;/h1-5,11,13H,6-9H2;1H
InChIKeyYKNLMTPADGYDKU-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.25
Rot. Bonds3

About morpholin-2-ylmethyl benzoate;hydrochloride

morpholin-2-ylmethyl benzoate;hydrochloride (PubChem CID 19777235) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is morpholin-2-ylmethyl benzoate;hydrochloride.

Molecular Properties

Compound Namemorpholin-2-ylmethyl benzoate;hydrochloride
PubChem CID19777235
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemorpholin-2-ylmethyl benzoate;hydrochloride
SMILESCl.O=C(OCC1CNCCO1)c1ccccc1
InChIInChI=1S/C12H15NO3.ClH/c14-12(10-4-2-1-3-5-10)16-9-11-8-13-6-7-15-11;/h1-5,11,13H,6-9H2;1H
InChIKeyYKNLMTPADGYDKU-UHFFFAOYSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-morpholin-2-yl]methyl 4-nitrobenzoate
CID 66663133
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
3-(morpholin-2-ylmethoxy)benzoic acid
CID 174949498
piperidin-3-ylmethyl benzoate
CID 53409803
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
CID 66662905
benzyl 2-morpholin-2-ylacetate
CID 66434624
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201

Frequently Asked Questions

What is the IUPAC name of morpholin-2-ylmethyl benzoate;hydrochloride?
The IUPAC name of morpholin-2-ylmethyl benzoate;hydrochloride (CID 19777235) is morpholin-2-ylmethyl benzoate;hydrochloride.
What is the SMILES notation for morpholin-2-ylmethyl benzoate;hydrochloride?
The canonical SMILES for morpholin-2-ylmethyl benzoate;hydrochloride is Cl.O=C(OCC1CNCCO1)c1ccccc1.
What is the InChIKey of morpholin-2-ylmethyl benzoate;hydrochloride?
The InChIKey is YKNLMTPADGYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c14-12(10-4-2-1-3-5-10)16-9-11-8-13-6-7-15-11;/h1-5,11,13H,6-9H2;1H.
What are the key properties of morpholin-2-ylmethyl benzoate;hydrochloride?
morpholin-2-ylmethyl benzoate;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-ylmethyl benzoate;hydrochloride is sourced from PubChem (CID 19777235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).