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

C25H36ClNO2 — CID 24747969

IUPAC1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C25H35NO2.ClH/c1-2-3-4-11-16-25(27,23-14-9-6-10-15-23)24(22-12-7-5-8-13-22)21-26-17-19-28-20-18-26;/h5-10,12-15,24,27H,2-4,11,16-21H2,1H3;1H
InChIKeyAXMYWTULLLKZMY-UHFFFAOYSA-N
MW418.02 g/mol
LogP5.38
Rot. Bonds10

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

1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride (PubChem CID 24747969) has the molecular formula C25H36ClNO2 and a molecular weight of 418.02 g/mol. Its IUPAC name is 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride
PubChem CID24747969
Molecular FormulaC25H36ClNO2
Molecular Weight418.02 g/mol
Exact Mass417.24
IUPAC Name1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride
SMILESCCCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C25H35NO2.ClH/c1-2-3-4-11-16-25(27,23-14-9-6-10-15-23)24(22-12-7-5-8-13-22)21-26-17-19-28-20-18-26;/h5-10,12-15,24,27H,2-4,11,16-21H2,1H3;1H
InChIKeyAXMYWTULLLKZMY-UHFFFAOYSA-N
XLogP5.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.02
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride (CID 24747969) is 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride is CCCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride?
The InChIKey is AXMYWTULLLKZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2.ClH/c1-2-3-4-11-16-25(27,23-14-9-6-10-15-23)24(22-12-7-5-8-13-22)21-26-17-19-28-20-18-26;/h5-10,12-15,24,27H,2-4,11,16-21H2,1H3;1H.
What are the key properties of 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride?
1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride has a molecular weight of 418.02 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2,3-diphenylnonan-3-ol;hydrochloride is sourced from PubChem (CID 24747969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).