2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol

C28H40N2O4 — CID 56688049

IUPAC2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
SMILESOC(c1ccccc1)C(CCC(CN1CCOCC1)C(O)c1ccccc1)CN1CCOCC1
InChIInChI=1S/C28H40N2O4/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/h1-10,25-28,31-32H,11-22H2
InChIKeyQPIKTYCLELXBAK-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.13
Rot. Bonds11

About 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol

2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol (PubChem CID 56688049) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol.

Molecular Properties

Compound Name2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
PubChem CID56688049
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
SMILESOC(c1ccccc1)C(CCC(CN1CCOCC1)C(O)c1ccccc1)CN1CCOCC1
InChIInChI=1S/C28H40N2O4/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/h1-10,25-28,31-32H,11-22H2
InChIKeyQPIKTYCLELXBAK-UHFFFAOYSA-N
XLogP3.13
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2S)-1-(4-chlorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 911541
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
CID 66646151
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
N-[(1R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
CID 11957677
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide;hydrochloride
CID 133124946

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol?
The IUPAC name of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol (CID 56688049) is 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol.
What is the SMILES notation for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol?
The canonical SMILES for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol is OC(c1ccccc1)C(CCC(CN1CCOCC1)C(O)c1ccccc1)CN1CCOCC1.
What is the InChIKey of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol?
The InChIKey is QPIKTYCLELXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/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/h1-10,25-28,31-32H,11-22H2.
What are the key properties of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol?
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol has a molecular weight of 468.64 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 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-diol is sourced from PubChem (CID 56688049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).