iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane

C26H31INP — CID 14323062

IUPACiodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane
SMILESCC(CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C26H31INP/c1-23(28-20-12-5-13-21-28)22-29(27,24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,23H,5,12-13,20-22H2,1H3
InChIKeyDNGUPTJHWREXIJ-UHFFFAOYSA-N
MW515.42 g/mol
LogP5.74
Rot. Bonds6

About iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane

iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane (PubChem CID 14323062) has the molecular formula C26H31INP and a molecular weight of 515.42 g/mol. Its IUPAC name is iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane.

Molecular Properties

Compound Nameiodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane
PubChem CID14323062
Molecular FormulaC26H31INP
Molecular Weight515.42 g/mol
Exact Mass515.12
IUPAC Nameiodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane
SMILESCC(CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C26H31INP/c1-23(28-20-12-5-13-21-28)22-29(27,24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,23H,5,12-13,20-22H2,1H3
InChIKeyDNGUPTJHWREXIJ-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane?
The IUPAC name of iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane (CID 14323062) is iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane.
What is the SMILES notation for iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane?
The canonical SMILES for iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane is CC(CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane?
The InChIKey is DNGUPTJHWREXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31INP/c1-23(28-20-12-5-13-21-28)22-29(27,24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-4,6-11,14-19,23H,5,12-13,20-22H2,1H3.
What are the key properties of iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane?
iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane has a molecular weight of 515.42 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-triphenyl-(2-piperidin-1-ylpropyl)-lambda5-phosphane is sourced from PubChem (CID 14323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).