4-(1-diphenylphosphorylbutyl)morpholine

C20H26NO2P — CID 86180321

IUPAC4-(1-diphenylphosphorylbutyl)morpholine
SMILESCCCC(N1CCOCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26NO2P/c1-2-9-20(21-14-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3
InChIKeyJZRHBJUSHCWBJV-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.46
Rot. Bonds6

About 4-(1-diphenylphosphorylbutyl)morpholine

4-(1-diphenylphosphorylbutyl)morpholine (PubChem CID 86180321) has the molecular formula C20H26NO2P and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-(1-diphenylphosphorylbutyl)morpholine.

Molecular Properties

Compound Name4-(1-diphenylphosphorylbutyl)morpholine
PubChem CID86180321
Molecular FormulaC20H26NO2P
Molecular Weight343.41 g/mol
Exact Mass343.17
IUPAC Name4-(1-diphenylphosphorylbutyl)morpholine
SMILESCCCC(N1CCOCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26NO2P/c1-2-9-20(21-14-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3
InChIKeyJZRHBJUSHCWBJV-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(S)-diphenylphosphoryl(furan-2-yl)methyl]morpholine
CID 1263885
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
1-(2-morpholin-4-yl-3-phenylpropyl)-3-propylurea
CID 110403837
4-[(2-methylpropan-2-yl)oxy-phenylphosphoryl]morpholine
CID 101075914
4-(1-phenylhept-1-yn-3-yl)morpholine
CID 101430696
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
CID 174948400
N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
CID 175479837
4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
CID 11198557
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324

Frequently Asked Questions

What is the IUPAC name of 4-(1-diphenylphosphorylbutyl)morpholine?
The IUPAC name of 4-(1-diphenylphosphorylbutyl)morpholine (CID 86180321) is 4-(1-diphenylphosphorylbutyl)morpholine.
What is the SMILES notation for 4-(1-diphenylphosphorylbutyl)morpholine?
The canonical SMILES for 4-(1-diphenylphosphorylbutyl)morpholine is CCCC(N1CCOCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(1-diphenylphosphorylbutyl)morpholine?
The InChIKey is JZRHBJUSHCWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO2P/c1-2-9-20(21-14-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3.
What are the key properties of 4-(1-diphenylphosphorylbutyl)morpholine?
4-(1-diphenylphosphorylbutyl)morpholine has a molecular weight of 343.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-diphenylphosphorylbutyl)morpholine is sourced from PubChem (CID 86180321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).