2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane

C23H32NO2P — CID 89214358

IUPAC2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
SMILESCOCOc1ccccc1C(C)(C)Pc1ccc(C)cc1N1CCCCC1
InChIInChI=1S/C23H32NO2P/c1-18-12-13-22(20(16-18)24-14-8-5-9-15-24)27-23(2,3)19-10-6-7-11-21(19)26-17-25-4/h6-7,10-13,16,27H,5,8-9,14-15,17H2,1-4H3
InChIKeyNELOOWUWLJZAEP-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.21
Rot. Bonds7

About 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane

2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane (PubChem CID 89214358) has the molecular formula C23H32NO2P and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
PubChem CID89214358
Molecular FormulaC23H32NO2P
Molecular Weight385.49 g/mol
Exact Mass385.22
IUPAC Name2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
SMILESCOCOc1ccccc1C(C)(C)Pc1ccc(C)cc1N1CCCCC1
InChIInChI=1S/C23H32NO2P/c1-18-12-13-22(20(16-18)24-14-8-5-9-15-24)27-23(2,3)19-10-6-7-11-21(19)26-17-25-4/h6-7,10-13,16,27H,5,8-9,14-15,17H2,1-4H3
InChIKeyNELOOWUWLJZAEP-UHFFFAOYSA-N
XLogP5.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
CID 71039911
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 89214352
[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane
CID 159295518
dimethoxy-[2-(methoxymethoxy)phenyl]borane
CID 123184481
2-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339104
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane
CID 88987772
1-[2-(methoxymethoxy)-3-methyl-5-piperidin-1-ylphenyl]piperidine
CID 130451233
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
(E)-1-[2-[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]pentan-2-ylphosphanyl]phenyl]-N-piperidin-1-ylmethanimine
CID 89356571
1-ethynyl-2-(methoxymethoxy)-4-methylbenzene
CID 174552050
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
The IUPAC name of 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane (CID 89214358) is 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane.
What is the SMILES notation for 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
The canonical SMILES for 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane is COCOc1ccccc1C(C)(C)Pc1ccc(C)cc1N1CCCCC1.
What is the InChIKey of 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
The InChIKey is NELOOWUWLJZAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32NO2P/c1-18-12-13-22(20(16-18)24-14-8-5-9-15-24)27-23(2,3)19-10-6-7-11-21(19)26-17-25-4/h6-7,10-13,16,27H,5,8-9,14-15,17H2,1-4H3.
What are the key properties of 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane has a molecular weight of 385.49 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane is sourced from PubChem (CID 89214358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).