1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

C11H22N2O4 — CID 106990906

IUPAC1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(=NO)CC1
InChIInChI=1S/C11H22N2O4/c1-16-6-7-17-9-11(14)8-13-4-2-10(12-15)3-5-13/h11,14-15H,2-9H2,1H3
InChIKeyXPNIOOJFPYFOHM-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.06
Rot. Bonds7

About 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106990906) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106990906
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(=NO)CC1
InChIInChI=1S/C11H22N2O4/c1-16-6-7-17-9-11(14)8-13-4-2-10(12-15)3-5-13/h11,14-15H,2-9H2,1H3
InChIKeyXPNIOOJFPYFOHM-UHFFFAOYSA-N
XLogP-0.06
TPSA74.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
CID 106992894
1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992226
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
CID 106991448
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992023
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992152
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106990906) is 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is XPNIOOJFPYFOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-16-6-7-17-9-11(14)8-13-4-2-10(12-15)3-5-13/h11,14-15H,2-9H2,1H3.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106990906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).