4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine

C14H28NO3P — CID 71661861

IUPAC4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine
SMILESCCOP(=O)(CC(=C(C)C)C1CCNCC1)OCC
InChIInChI=1S/C14H28NO3P/c1-5-17-19(16,18-6-2)11-14(12(3)4)13-7-9-15-10-8-13/h13,15H,5-11H2,1-4H3
InChIKeyCYPZEUUUHWTBIZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.59
Rot. Bonds7

About 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine

4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine (PubChem CID 71661861) has the molecular formula C14H28NO3P and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine
PubChem CID71661861
Molecular FormulaC14H28NO3P
Molecular Weight289.36 g/mol
Exact Mass289.18
IUPAC Name4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine
SMILESCCOP(=O)(CC(=C(C)C)C1CCNCC1)OCC
InChIInChI=1S/C14H28NO3P/c1-5-17-19(16,18-6-2)11-14(12(3)4)13-7-9-15-10-8-13/h13,15H,5-11H2,1-4H3
InChIKeyCYPZEUUUHWTBIZ-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine?
The IUPAC name of 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine (CID 71661861) is 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine.
What is the SMILES notation for 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine?
The canonical SMILES for 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine is CCOP(=O)(CC(=C(C)C)C1CCNCC1)OCC.
What is the InChIKey of 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine?
The InChIKey is CYPZEUUUHWTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO3P/c1-5-17-19(16,18-6-2)11-14(12(3)4)13-7-9-15-10-8-13/h13,15H,5-11H2,1-4H3.
What are the key properties of 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine?
4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine has a molecular weight of 289.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-diethoxyphosphoryl-3-methylbut-2-en-2-yl)piperidine is sourced from PubChem (CID 71661861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).