1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride

C16H23ClN2O3 — CID 6603248

IUPAC1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
SMILESCl.O=C(C(c1ccccc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H22N2O3.ClH/c19-16(18-8-12-21-13-9-18)15(14-4-2-1-3-5-14)17-6-10-20-11-7-17;/h1-5,15H,6-13H2;1H
InChIKeyXJKHNQRWBNNLJF-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.34
Rot. Bonds3

About 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride

1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride (PubChem CID 6603248) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
PubChem CID6603248
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
SMILESCl.O=C(C(c1ccccc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H22N2O3.ClH/c19-16(18-8-12-21-13-9-18)15(14-4-2-1-3-5-14)17-6-10-20-11-7-17;/h1-5,15H,6-13H2;1H
InChIKeyXJKHNQRWBNNLJF-UHFFFAOYSA-N
XLogP1.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 30955979
(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648

Frequently Asked Questions

What is the IUPAC name of 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride?
The IUPAC name of 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride (CID 6603248) is 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride?
The canonical SMILES for 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride is Cl.O=C(C(c1ccccc1)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride?
The InChIKey is XJKHNQRWBNNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c19-16(18-8-12-21-13-9-18)15(14-4-2-1-3-5-14)17-6-10-20-11-7-17;/h1-5,15H,6-13H2;1H.
What are the key properties of 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride?
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride is sourced from PubChem (CID 6603248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).