(1-hexadecylpiperidin-4-yl) methyl octyl phosphite

C30H62NO3P — CID 143491103

IUPAC(1-hexadecylpiperidin-4-yl) methyl octyl phosphite
SMILESCCCCCCCCCCCCCCCCN1CCC(OP(OC)OCCCCCCCC)CC1
InChIInChI=1S/C30H62NO3P/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-31-27-24-30(25-28-31)34-35(32-3)33-29-23-21-11-9-7-5-2/h30H,4-29H2,1-3H3
InChIKeyVCWODCSFKQYBTJ-UHFFFAOYSA-N
MW515.80 g/mol
LogP10.20
Rot. Bonds26

About (1-hexadecylpiperidin-4-yl) methyl octyl phosphite

(1-hexadecylpiperidin-4-yl) methyl octyl phosphite (PubChem CID 143491103) has the molecular formula C30H62NO3P and a molecular weight of 515.80 g/mol. Its IUPAC name is (1-hexadecylpiperidin-4-yl) methyl octyl phosphite.

Molecular Properties

Compound Name(1-hexadecylpiperidin-4-yl) methyl octyl phosphite
PubChem CID143491103
Molecular FormulaC30H62NO3P
Molecular Weight515.80 g/mol
Exact Mass515.45
IUPAC Name(1-hexadecylpiperidin-4-yl) methyl octyl phosphite
SMILESCCCCCCCCCCCCCCCCN1CCC(OP(OC)OCCCCCCCC)CC1
InChIInChI=1S/C30H62NO3P/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-31-27-24-30(25-28-31)34-35(32-3)33-29-23-21-11-9-7-5-2/h30H,4-29H2,1-3H3
InChIKeyVCWODCSFKQYBTJ-UHFFFAOYSA-N
XLogP10.20
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.80
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[4-[2-(4-dioctoxyphosphanyloxycyclohexyl)propan-2-yl]cyclohexyl] dioctyl phosphite
CID 101312041
3-pentoxy-1-pentylpyrrolidine
CID 67812349
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922
4-fluoro-1-octylpiperidine
CID 130358850
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylpiperidin-4-ol
CID 62022103
1-decyl-4-propan-2-ylpiperidine
CID 166461232
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682

Frequently Asked Questions

What is the IUPAC name of (1-hexadecylpiperidin-4-yl) methyl octyl phosphite?
The IUPAC name of (1-hexadecylpiperidin-4-yl) methyl octyl phosphite (CID 143491103) is (1-hexadecylpiperidin-4-yl) methyl octyl phosphite.
What is the SMILES notation for (1-hexadecylpiperidin-4-yl) methyl octyl phosphite?
The canonical SMILES for (1-hexadecylpiperidin-4-yl) methyl octyl phosphite is CCCCCCCCCCCCCCCCN1CCC(OP(OC)OCCCCCCCC)CC1.
What is the InChIKey of (1-hexadecylpiperidin-4-yl) methyl octyl phosphite?
The InChIKey is VCWODCSFKQYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62NO3P/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-31-27-24-30(25-28-31)34-35(32-3)33-29-23-21-11-9-7-5-2/h30H,4-29H2,1-3H3.
What are the key properties of (1-hexadecylpiperidin-4-yl) methyl octyl phosphite?
(1-hexadecylpiperidin-4-yl) methyl octyl phosphite has a molecular weight of 515.80 g/mol, XLogP of 10.20, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexadecylpiperidin-4-yl) methyl octyl phosphite is sourced from PubChem (CID 143491103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).