[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium

C29H35NO2P+ — CID 18187634

IUPAC[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium
SMILESCC(C)(C)OC(=O)N1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35NO2P/c1-29(2,3)32-28(31)30-21-19-24(20-22-30)23-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-23H2,1-3H3/q+1
InChIKeyHZWCNHUDDGTFGK-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.63
Rot. Bonds5

About [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium

[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium (PubChem CID 18187634) has the molecular formula C29H35NO2P+ and a molecular weight of 460.58 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium
PubChem CID18187634
Molecular FormulaC29H35NO2P+
Molecular Weight460.58 g/mol
Exact Mass460.24
IUPAC Name[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium
SMILESCC(C)(C)OC(=O)N1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H35NO2P/c1-29(2,3)32-28(31)30-21-19-24(20-22-30)23-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-23H2,1-3H3/q+1
InChIKeyHZWCNHUDDGTFGK-UHFFFAOYSA-N
XLogP5.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium (CID 18187634) is [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium is CC(C)(C)OC(=O)N1CCC(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium?
The InChIKey is HZWCNHUDDGTFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2P/c1-29(2,3)32-28(31)30-21-19-24(20-22-30)23-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-23H2,1-3H3/q+1.
What are the key properties of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium?
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium has a molecular weight of 460.58 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-triphenylphosphanium is sourced from PubChem (CID 18187634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).