4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine

C24H50NO2P — CID 71531135

IUPAC4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine
SMILESCCCCCCCCCCCCCCCCP(=O)(CC1CCN(C)CC1)OC
InChIInChI=1S/C24H50NO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28(26,27-3)23-24-18-20-25(2)21-19-24/h24H,4-23H2,1-3H3
InChIKeyICTFDZKCVOFTBM-UHFFFAOYSA-N
MW415.64 g/mol
LogP7.73
Rot. Bonds18

About 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine

4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine (PubChem CID 71531135) has the molecular formula C24H50NO2P and a molecular weight of 415.64 g/mol. Its IUPAC name is 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine
PubChem CID71531135
Molecular FormulaC24H50NO2P
Molecular Weight415.64 g/mol
Exact Mass415.36
IUPAC Name4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine
SMILESCCCCCCCCCCCCCCCCP(=O)(CC1CCN(C)CC1)OC
InChIInChI=1S/C24H50NO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28(26,27-3)23-24-18-20-25(2)21-19-24/h24H,4-23H2,1-3H3
InChIKeyICTFDZKCVOFTBM-UHFFFAOYSA-N
XLogP7.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.64
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
1,4-dimethylpiperidine;ethane;heptane
CID 156708934
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
4-(2-butoxyethyl)-1-methylpiperidine
CID 23544400
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922
1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
CID 171070413
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
decyl(methoxy)phosphinic acid
CID 54568982
tris(diheptylphosphoryloxy)alumane
CID 170983698
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230
1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622

Frequently Asked Questions

What is the IUPAC name of 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine (CID 71531135) is 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine is CCCCCCCCCCCCCCCCP(=O)(CC1CCN(C)CC1)OC.
What is the InChIKey of 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine?
The InChIKey is ICTFDZKCVOFTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50NO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28(26,27-3)23-24-18-20-25(2)21-19-24/h24H,4-23H2,1-3H3.
What are the key properties of 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine?
4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine has a molecular weight of 415.64 g/mol, XLogP of 7.73, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hexadecyl(methoxy)phosphoryl]methyl]-1-methylpiperidine is sourced from PubChem (CID 71531135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).