2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride

C28H37ClN2O4 — CID 6603036

IUPAC2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
SMILESCl.O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1
InChIInChI=1S/C28H36N2O4.ClH/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24;/h1-10,25-26H,11-22H2;1H
InChIKeyJZMVFJHVZGXGFM-UHFFFAOYSA-N
MW501.07 g/mol
LogP3.85
Rot. Bonds11

About 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride

2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride (PubChem CID 6603036) has the molecular formula C28H37ClN2O4 and a molecular weight of 501.07 g/mol. Its IUPAC name is 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride.

Molecular Properties

Compound Name2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
PubChem CID6603036
Molecular FormulaC28H37ClN2O4
Molecular Weight501.07 g/mol
Exact Mass500.24
IUPAC Name2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
SMILESCl.O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1
InChIInChI=1S/C28H36N2O4.ClH/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24;/h1-10,25-26H,11-22H2;1H
InChIKeyJZMVFJHVZGXGFM-UHFFFAOYSA-N
XLogP3.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.07
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione
CID 56694067
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025
2-benzoyl-2-(dimethylamino)-3-(morpholin-4-ylmethyl)-1,4-diphenylbutane-1,4-dione
CID 174769768
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
2-(2-morpholin-4-ylethylsulfanyl)-1,2-diphenylethanone
CID 134065103
2-[(2S,3R,4R)-2-benzoyl-4-(morpholin-4-ylmethyl)-5-oxo-3,5-diphenylpentyl]propanedinitrile
CID 98345681
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
methyl 4-oxo-4-phenyl-3-(piperidin-1-ylmethyl)butanoate
CID 22467076
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride?
The IUPAC name of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride (CID 6603036) is 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride.
What is the SMILES notation for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride?
The canonical SMILES for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride is Cl.O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1.
What is the InChIKey of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride?
The InChIKey is JZMVFJHVZGXGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4.ClH/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24;/h1-10,25-26H,11-22H2;1H.
What are the key properties of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride?
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride has a molecular weight of 501.07 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride is sourced from PubChem (CID 6603036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).