ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate

C12H24NO5P — CID 20676716

IUPACethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1P(=O)(OCC)OCC
InChIInChI=1S/C12H24NO5P/c1-4-16-12(14)13-10-8-7-9-11(13)19(15,17-5-2)18-6-3/h11H,4-10H2,1-3H3
InChIKeyNKXKAPZOUKVUKZ-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.22
Rot. Bonds6

About ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate

ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate (PubChem CID 20676716) has the molecular formula C12H24NO5P and a molecular weight of 293.30 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
PubChem CID20676716
Molecular FormulaC12H24NO5P
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1P(=O)(OCC)OCC
InChIInChI=1S/C12H24NO5P/c1-4-16-12(14)13-10-8-7-9-11(13)19(15,17-5-2)18-6-3/h11H,4-10H2,1-3H3
InChIKeyNKXKAPZOUKVUKZ-UHFFFAOYSA-N
XLogP3.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.22
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

ethyl (2S)-2-ethoxypiperidine-1-carboxylate
CID 92983244
benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate
CID 10734957
1-ethoxycarbonylpiperidine-2-carboxylate
CID 71341440
CID 101403900
CID 101403900
ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
[1-(2-oxobutanoyl)piperidin-2-yl]-propoxyphosphinic acid
CID 58958655
ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
CID 118303128
[(2S)-3-ethoxy-2-methyl-3-oxopropyl]-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]phosphinic acid
CID 24828307
diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate
CID 131716302

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate?
The IUPAC name of ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate (CID 20676716) is ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate is CCOC(=O)N1CCCCC1P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate?
The InChIKey is NKXKAPZOUKVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO5P/c1-4-16-12(14)13-10-8-7-9-11(13)19(15,17-5-2)18-6-3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate?
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate has a molecular weight of 293.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate is sourced from PubChem (CID 20676716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).