N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol

C12H27N2O5P — CID 91506556

IUPACN-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol
SMILESCCOC(=O)C(C)NP(C)(=O)O.CN1CCC(O)CC1
InChIInChI=1S/C6H14NO4P.C6H13NO/c1-4-11-6(8)5(2)7-12(3,9)10;1-7-4-2-6(8)3-5-7/h5H,4H2,1-3H3,(H2,7,9,10);6,8H,2-5H2,1H3
InChIKeyPOAFFGQWRZEJST-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.42
Rot. Bonds4

About N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol

N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol (PubChem CID 91506556) has the molecular formula C12H27N2O5P and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol.

Molecular Properties

Compound NameN-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol
PubChem CID91506556
Molecular FormulaC12H27N2O5P
Molecular Weight310.33 g/mol
Exact Mass310.17
IUPAC NameN-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol
SMILESCCOC(=O)C(C)NP(C)(=O)O.CN1CCC(O)CC1
InChIInChI=1S/C6H14NO4P.C6H13NO/c1-4-11-6(8)5(2)7-12(3,9)10;1-7-4-2-6(8)3-5-7/h5H,4H2,1-3H3,(H2,7,9,10);6,8H,2-5H2,1H3
InChIKeyPOAFFGQWRZEJST-UHFFFAOYSA-N
XLogP0.42
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
CID 58928695
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
CID 61498192
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
CID 58445974
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane
CID 161235723
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol?
The IUPAC name of N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol (CID 91506556) is N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol.
What is the SMILES notation for N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol?
The canonical SMILES for N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol is CCOC(=O)C(C)NP(C)(=O)O.CN1CCC(O)CC1.
What is the InChIKey of N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol?
The InChIKey is POAFFGQWRZEJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P.C6H13NO/c1-4-11-6(8)5(2)7-12(3,9)10;1-7-4-2-6(8)3-5-7/h5H,4H2,1-3H3,(H2,7,9,10);6,8H,2-5H2,1H3.
What are the key properties of N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol?
N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol has a molecular weight of 310.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-1-oxopropan-2-yl)-methylphosphonamidic acid;1-methylpiperidin-4-ol is sourced from PubChem (CID 91506556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).