1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine

C14H28NO3P — CID 102119295

IUPAC1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine
SMILESCCOP(=O)(OCC)/C(=C\C(C)C)N1CCCCC1
InChIInChI=1S/C14H28NO3P/c1-5-17-19(16,18-6-2)14(12-13(3)4)15-10-8-7-9-11-15/h12-13H,5-11H2,1-4H3/b14-12-
InChIKeyCUGIPKNZDXWRSV-OWBHPGMISA-N
MW289.36 g/mol
LogP4.24
Rot. Bonds7

About 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine

1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine (PubChem CID 102119295) has the molecular formula C14H28NO3P and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine
PubChem CID102119295
Molecular FormulaC14H28NO3P
Molecular Weight289.36 g/mol
Exact Mass289.18
IUPAC Name1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine
SMILESCCOP(=O)(OCC)/C(=C\C(C)C)N1CCCCC1
InChIInChI=1S/C14H28NO3P/c1-5-17-19(16,18-6-2)14(12-13(3)4)15-10-8-7-9-11-15/h12-13H,5-11H2,1-4H3/b14-12-
InChIKeyCUGIPKNZDXWRSV-OWBHPGMISA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphoryl-1-pyrrolidin-1-ylpropane-1,2-dione
CID 15213142
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
ethyl azacycloundecane-1-carboxylate
CID 67670496
1-diethoxyphosphorylpyrrolidine
CID 10750826
1-(diethoxyphosphorylmethyl)azepane
CID 2251936
(Z)-1-cyclohexyl-2-diethoxyphosphorylbut-2-en-1-one
CID 100967866
N-[(Z)-1-diethoxyphosphoryl-2-piperidin-1-ylethenyl]benzamide
CID 2829765
(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one
CID 59559289
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
propyl azepane-1-carboxylate
CID 91585333

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine?
The IUPAC name of 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine (CID 102119295) is 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine.
What is the SMILES notation for 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine?
The canonical SMILES for 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine is CCOP(=O)(OCC)/C(=C\C(C)C)N1CCCCC1.
What is the InChIKey of 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine?
The InChIKey is CUGIPKNZDXWRSV-OWBHPGMISA-N. The full InChI is InChI=1S/C14H28NO3P/c1-5-17-19(16,18-6-2)14(12-13(3)4)15-10-8-7-9-11-15/h12-13H,5-11H2,1-4H3/b14-12-.
What are the key properties of 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine?
1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine has a molecular weight of 289.36 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-diethoxyphosphoryl-3-methylbut-1-enyl]piperidine is sourced from PubChem (CID 102119295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).