4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride

C26H30ClNO2 — CID 45128037

IUPAC4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
SMILESCl.OC(Cc1ccccc1)(c1ccccc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29NO2.ClH/c28-26(24-14-8-3-9-15-24,20-22-10-4-1-5-11-22)25(23-12-6-2-7-13-23)21-27-16-18-29-19-17-27;/h1-15,25,28H,16-21H2;1H
InChIKeyIXMXYPNUWZMDAN-UHFFFAOYSA-N
MW423.98 g/mol
LogP4.65
Rot. Bonds7

About 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride

4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride (PubChem CID 45128037) has the molecular formula C26H30ClNO2 and a molecular weight of 423.98 g/mol. Its IUPAC name is 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
PubChem CID45128037
Molecular FormulaC26H30ClNO2
Molecular Weight423.98 g/mol
Exact Mass423.20
IUPAC Name4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
SMILESCl.OC(Cc1ccccc1)(c1ccccc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29NO2.ClH/c28-26(24-14-8-3-9-15-24,20-22-10-4-1-5-11-22)25(23-12-6-2-7-13-23)21-27-16-18-29-19-17-27;/h1-15,25,28H,16-21H2;1H
InChIKeyIXMXYPNUWZMDAN-UHFFFAOYSA-N
XLogP4.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.98
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride with MolForge

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Related Compounds

(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
CID 45128058

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride?
The IUPAC name of 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride (CID 45128037) is 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride.
What is the SMILES notation for 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride?
The canonical SMILES for 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride is Cl.OC(Cc1ccccc1)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride?
The InChIKey is IXMXYPNUWZMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2.ClH/c28-26(24-14-8-3-9-15-24,20-22-10-4-1-5-11-22)25(23-12-6-2-7-13-23)21-27-16-18-29-19-17-27;/h1-15,25,28H,16-21H2;1H.
What are the key properties of 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride?
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride has a molecular weight of 423.98 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride is sourced from PubChem (CID 45128037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).