(2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol

C11H18N4O3 — CID 3246687

IUPAC(2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol
SMILESO=[N+]([O-])c1nccn1C[C@H](O)CN1CCCCC1
InChIInChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2/t10-/m1/s1
InChIKeyWVWOOAYQYLJEFD-SNVBAGLBSA-N
MW254.29 g/mol
LogP0.64
Rot. Bonds5

About (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol

(2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol (PubChem CID 3246687) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol
PubChem CID3246687
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol
SMILESO=[N+]([O-])c1nccn1C[C@H](O)CN1CCCCC1
InChIInChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2/t10-/m1/s1
InChIKeyWVWOOAYQYLJEFD-SNVBAGLBSA-N
XLogP0.64
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol (CID 3246687) is (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol is O=[N+]([O-])c1nccn1C[C@H](O)CN1CCCCC1.
What is the InChIKey of (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is WVWOOAYQYLJEFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2/t10-/m1/s1.
What are the key properties of (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol?
(2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 254.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 3246687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).