1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine

C20H25N2O2P — CID 76558485

IUPAC1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine
SMILESCOCOc1ccccc1Pc1ccccc1C=NN1CCCCC1
InChIInChI=1S/C20H25N2O2P/c1-23-16-24-18-10-4-6-12-20(18)25-19-11-5-3-9-17(19)15-21-22-13-7-2-8-14-22/h3-6,9-12,15,25H,2,7-8,13-14,16H2,1H3
InChIKeyWGEGHFSPFXGMHK-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.12
Rot. Bonds7

About 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine

1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine (PubChem CID 76558485) has the molecular formula C20H25N2O2P and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine
PubChem CID76558485
Molecular FormulaC20H25N2O2P
Molecular Weight356.41 g/mol
Exact Mass356.17
IUPAC Name1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine
SMILESCOCOc1ccccc1Pc1ccccc1C=NN1CCCCC1
InChIInChI=1S/C20H25N2O2P/c1-23-16-24-18-10-4-6-12-20(18)25-19-11-5-3-9-17(19)15-21-22-13-7-2-8-14-22/h3-6,9-12,15,25H,2,7-8,13-14,16H2,1H3
InChIKeyWGEGHFSPFXGMHK-UHFFFAOYSA-N
XLogP3.12
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[2-[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]pentan-2-ylphosphanyl]phenyl]-N-piperidin-1-ylmethanimine
CID 89356571
2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol
CID 149182518
1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
CID 76558150
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426
2-[(E)-piperidin-1-yliminomethyl]benzoic acid
CID 24560902
dimethoxy-[2-(methoxymethoxy)phenyl]borane
CID 123184481
N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride
CID 53351898
2-tert-butyl-4-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
CID 172960859
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
CID 135675955
N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-ethoxyphenyl)methanimine
CID 2139353
(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
CID 6902534

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine (CID 76558485) is 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine is COCOc1ccccc1Pc1ccccc1C=NN1CCCCC1.
What is the InChIKey of 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine?
The InChIKey is WGEGHFSPFXGMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2O2P/c1-23-16-24-18-10-4-6-12-20(18)25-19-11-5-3-9-17(19)15-21-22-13-7-2-8-14-22/h3-6,9-12,15,25H,2,7-8,13-14,16H2,1H3.
What are the key properties of 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine?
1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine has a molecular weight of 356.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methoxymethoxy)phenyl]phosphanylphenyl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 76558485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).