1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol

C9H18N2O2 — CID 60884369

IUPAC1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)7-11-5-3-8(10-13)4-6-11/h9,12-13H,2-7H2,1H3
InChIKeyXJULTJABBMXWDP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.68
Rot. Bonds3

About 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol

1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol (PubChem CID 60884369) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol
PubChem CID60884369
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCC(=NO)CC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)7-11-5-3-8(10-13)4-6-11/h9,12-13H,2-7H2,1H3
InChIKeyXJULTJABBMXWDP-UHFFFAOYSA-N
XLogP0.68
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol (CID 60884369) is 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol is CCC(O)CN1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol?
The InChIKey is XJULTJABBMXWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-9(12)7-11-5-3-8(10-13)4-6-11/h9,12-13H,2-7H2,1H3.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol?
1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol has a molecular weight of 186.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminopiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 60884369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).