1-dipropoxyphosphorylpiperidine

C11H24NO3P — CID 3767589

IUPAC1-dipropoxyphosphorylpiperidine
SMILESCCCOP(=O)(OCCC)N1CCCCC1
InChIInChI=1S/C11H24NO3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-11H2,1-2H3
InChIKeyXVOCTESDQJBSSP-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.43
Rot. Bonds7

About 1-dipropoxyphosphorylpiperidine

1-dipropoxyphosphorylpiperidine (PubChem CID 3767589) has the molecular formula C11H24NO3P and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-dipropoxyphosphorylpiperidine.

Molecular Properties

Compound Name1-dipropoxyphosphorylpiperidine
PubChem CID3767589
Molecular FormulaC11H24NO3P
Molecular Weight249.29 g/mol
Exact Mass249.15
IUPAC Name1-dipropoxyphosphorylpiperidine
SMILESCCCOP(=O)(OCCC)N1CCCCC1
InChIInChI=1S/C11H24NO3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-11H2,1-2H3
InChIKeyXVOCTESDQJBSSP-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphorylpyrrolidine
CID 10750826
4-dibutoxyphosphorylselenomorpholine
CID 102520796
1-methoxypropane;piperidine-1-carbaldehyde
CID 142366612
dodecyl dihydrogen phosphate;1-methylpiperidine
CID 174903900
2-[hydroxy(propoxy)phosphoryl]oxyethyl azepane-1-carbodithioate
CID 118713542
1-[pyrrolidin-1-yl(pyrrolidin-1-yloxy)phosphoryl]oxypyrrolidine
CID 174949152
propyl azepane-1-carboxylate
CID 91585333
1-(diethoxyphosphorylmethyl)azepane
CID 2251936
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
azepan-1-ylphosphonic acid
CID 13100816
propyl piperidine-1-carboperoxoate
CID 140533006
propyl dihydrogen phosphate;urea
CID 88818408

Frequently Asked Questions

What is the IUPAC name of 1-dipropoxyphosphorylpiperidine?
The IUPAC name of 1-dipropoxyphosphorylpiperidine (CID 3767589) is 1-dipropoxyphosphorylpiperidine.
What is the SMILES notation for 1-dipropoxyphosphorylpiperidine?
The canonical SMILES for 1-dipropoxyphosphorylpiperidine is CCCOP(=O)(OCCC)N1CCCCC1.
What is the InChIKey of 1-dipropoxyphosphorylpiperidine?
The InChIKey is XVOCTESDQJBSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h3-11H2,1-2H3.
What are the key properties of 1-dipropoxyphosphorylpiperidine?
1-dipropoxyphosphorylpiperidine has a molecular weight of 249.29 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropoxyphosphorylpiperidine is sourced from PubChem (CID 3767589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).