1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone

C25H26NOP — CID 11153426

IUPAC1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C25H26NOP/c27-25(26-19-11-4-12-20-26)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,21H,4,11-12,19-20H2
InChIKeyJBFDMRDAVNVELG-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.80
Rot. Bonds4

About 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone

1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone (PubChem CID 11153426) has the molecular formula C25H26NOP and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone
PubChem CID11153426
Molecular FormulaC25H26NOP
Molecular Weight387.46 g/mol
Exact Mass387.18
IUPAC Name1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C25H26NOP/c27-25(26-19-11-4-12-20-26)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,21H,4,11-12,19-20H2
InChIKeyJBFDMRDAVNVELG-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone (CID 11153426) is 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone is O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone?
The InChIKey is JBFDMRDAVNVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26NOP/c27-25(26-19-11-4-12-20-26)21-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,21H,4,11-12,19-20H2.
What are the key properties of 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone?
1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone has a molecular weight of 387.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(triphenyl-λ5-phosphanylidene)ethanone is sourced from PubChem (CID 11153426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).