(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide

C26H27BrNOP — CID 22403717

IUPAC(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCCN1C1CC1.[Br-]
InChIInChI=1S/C26H27NOP.BrH/c28-26-25(17-10-20-27(26)21-18-19-21)29(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-9,11-16,21,25H,10,17-20H2;1H/q+1;/p-1
InChIKeyVUMANFFJIMAZBE-UHFFFAOYSA-M
MW480.39 g/mol
LogP1.14
Rot. Bonds5

About (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide

(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide (PubChem CID 22403717) has the molecular formula C26H27BrNOP and a molecular weight of 480.39 g/mol. Its IUPAC name is (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
PubChem CID22403717
Molecular FormulaC26H27BrNOP
Molecular Weight480.39 g/mol
Exact Mass479.10
IUPAC Name(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide
SMILESO=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCCN1C1CC1.[Br-]
InChIInChI=1S/C26H27NOP.BrH/c28-26-25(17-10-20-27(26)21-18-19-21)29(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-9,11-16,21,25H,10,17-20H2;1H/q+1;/p-1
InChIKeyVUMANFFJIMAZBE-UHFFFAOYSA-M
XLogP1.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 51.14
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-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide?
The IUPAC name of (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide (CID 22403717) is (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide.
What is the SMILES notation for (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide?
The canonical SMILES for (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide is O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCCN1C1CC1.[Br-].
What is the InChIKey of (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide?
The InChIKey is VUMANFFJIMAZBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H27NOP.BrH/c28-26-25(17-10-20-27(26)21-18-19-21)29(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-9,11-16,21,25H,10,17-20H2;1H/q+1;/p-1.
What are the key properties of (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide?
(1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide has a molecular weight of 480.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-oxopiperidin-3-yl)-triphenylphosphanium bromide is sourced from PubChem (CID 22403717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).