1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine

C11H24NO3P — CID 3054405

IUPAC1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine
SMILESCC(C)OP(C)(=O)OCCN1CCCCC1
InChIInChI=1S/C11H24NO3P/c1-11(2)15-16(3,13)14-10-9-12-7-5-4-6-8-12/h11H,4-10H2,1-3H3
InChIKeyOLGCFBNITKHWGS-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.74
Rot. Bonds6

About 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine

1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine (PubChem CID 3054405) has the molecular formula C11H24NO3P and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine
PubChem CID3054405
Molecular FormulaC11H24NO3P
Molecular Weight249.29 g/mol
Exact Mass249.15
IUPAC Name1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine
SMILESCC(C)OP(C)(=O)OCCN1CCCCC1
InChIInChI=1S/C11H24NO3P/c1-11(2)15-16(3,13)14-10-9-12-7-5-4-6-8-12/h11H,4-10H2,1-3H3
InChIKeyOLGCFBNITKHWGS-UHFFFAOYSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.74
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

Diethyl 1-(piperidin-1-yl)propan-2-yl phosphate
CID 204164
1-(Piperidin-1-yl)propan-2-yl dipropyl phosphate
CID 204165
1-(Piperidin-1-yl)propan-2-yl dipropan-2-yl phosphate
CID 204166
Phosphoric acid, dibutyl (1-piperidino-2-propyl) ester
CID 204167
Phosphoric acid, diisopropyl 2-piperidinoethyl ester
CID 205380
Phosphoric acid, dibutyl 2-piperidinoethyl ester
CID 205381
Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, dipropylphosphate
CID 3056449
Piperidinium, 1-(2-hydroxypropyl)-1-methyl-, iodide, diisopropylphosphorate
CID 3056453
1-(Diethoxyphosphorylmethyl)piperidine
CID 305865
(1,1-Dimethylpiperidin-1-ium-4-yl) propyl phosphate
CID 72200889
1-[Ethoxy(methyl)phosphoryl]piperidine
CID 85596969
1-[[Ethoxy(methyl)phosphoryl]methyl]piperidine
CID 2829253

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine (CID 3054405) is 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine is CC(C)OP(C)(=O)OCCN1CCCCC1.
What is the InChIKey of 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine?
The InChIKey is OLGCFBNITKHWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO3P/c1-11(2)15-16(3,13)14-10-9-12-7-5-4-6-8-12/h11H,4-10H2,1-3H3.
What are the key properties of 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine?
1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine has a molecular weight of 249.29 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(propan-2-yloxy)phosphoryl]oxyethyl]piperidine is sourced from PubChem (CID 3054405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).