1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine

C16H30NO4P — CID 134932206

IUPAC1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine
SMILESCCOP(=O)(OCC)C1=COC(N2CCCCC2)C(C)(C)C1
InChIInChI=1S/C16H30NO4P/c1-5-20-22(18,21-6-2)14-12-16(3,4)15(19-13-14)17-10-8-7-9-11-17/h13,15H,5-12H2,1-4H3
InChIKeyFLYLYVOQBHMSAB-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.35
Rot. Bonds6

About 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine

1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine (PubChem CID 134932206) has the molecular formula C16H30NO4P and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine.

Molecular Properties

Compound Name1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine
PubChem CID134932206
Molecular FormulaC16H30NO4P
Molecular Weight331.39 g/mol
Exact Mass331.19
IUPAC Name1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine
SMILESCCOP(=O)(OCC)C1=COC(N2CCCCC2)C(C)(C)C1
InChIInChI=1S/C16H30NO4P/c1-5-20-22(18,21-6-2)14-12-16(3,4)15(19-13-14)17-10-8-7-9-11-17/h13,15H,5-12H2,1-4H3
InChIKeyFLYLYVOQBHMSAB-UHFFFAOYSA-N
XLogP4.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphoryl-4,4a,5,6,7,8a-hexahydropyrano[2,3-b]pyran
CID 73117051
5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
CID 11345021
5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran
CID 11748465
1-diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
1-diethoxyphosphoryl-4-methylcyclohexene
CID 12856524
1-diethoxyphosphorylpyrrolidine
CID 10750826
1-(diethoxyphosphorylmethyl)azepane
CID 2251936
2-diethoxyphosphoryl-5,5-dimethylcyclopent-2-en-1-one
CID 13431507
5,11,17,23,29-pentakis(diethoxyphosphoryl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 102025776
4-cyclohexyl-5-diethoxyphosphoryl-1H-pyrazole
CID 46189752
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
3-diethoxyphosphoryl-4-iodo-5,5-dimethyl-2H-furan
CID 15162431

Frequently Asked Questions

What is the IUPAC name of 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine?
The IUPAC name of 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine (CID 134932206) is 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine.
What is the SMILES notation for 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine?
The canonical SMILES for 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine is CCOP(=O)(OCC)C1=COC(N2CCCCC2)C(C)(C)C1.
What is the InChIKey of 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine?
The InChIKey is FLYLYVOQBHMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30NO4P/c1-5-20-22(18,21-6-2)14-12-16(3,4)15(19-13-14)17-10-8-7-9-11-17/h13,15H,5-12H2,1-4H3.
What are the key properties of 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine?
1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine has a molecular weight of 331.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine is sourced from PubChem (CID 134932206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).