2-nitro-5-piperidin-1-ylphenol

C11H14N2O3 — CID 2774482

IUPAC2-nitro-5-piperidin-1-ylphenol
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)cc1O
InChIInChI=1S/C11H14N2O3/c14-11-8-9(4-5-10(11)13(15)16)12-6-2-1-3-7-12/h4-5,8,14H,1-3,6-7H2
InChIKeyDDKAQSBPHIORAR-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.29
Rot. Bonds2

About 2-nitro-5-piperidin-1-ylphenol

2-nitro-5-piperidin-1-ylphenol (PubChem CID 2774482) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-nitro-5-piperidin-1-ylphenol.

Molecular Properties

Compound Name2-nitro-5-piperidin-1-ylphenol
PubChem CID2774482
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-nitro-5-piperidin-1-ylphenol
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)cc1O
InChIInChI=1S/C11H14N2O3/c14-11-8-9(4-5-10(11)13(15)16)12-6-2-1-3-7-12/h4-5,8,14H,1-3,6-7H2
InChIKeyDDKAQSBPHIORAR-UHFFFAOYSA-N
XLogP2.29
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-5-piperidin-1-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-piperidin-1-ylphenol?
The IUPAC name of 2-nitro-5-piperidin-1-ylphenol (CID 2774482) is 2-nitro-5-piperidin-1-ylphenol.
What is the SMILES notation for 2-nitro-5-piperidin-1-ylphenol?
The canonical SMILES for 2-nitro-5-piperidin-1-ylphenol is O=[N+]([O-])c1ccc(N2CCCCC2)cc1O.
What is the InChIKey of 2-nitro-5-piperidin-1-ylphenol?
The InChIKey is DDKAQSBPHIORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11-8-9(4-5-10(11)13(15)16)12-6-2-1-3-7-12/h4-5,8,14H,1-3,6-7H2.
What are the key properties of 2-nitro-5-piperidin-1-ylphenol?
2-nitro-5-piperidin-1-ylphenol has a molecular weight of 222.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-piperidin-1-ylphenol is sourced from PubChem (CID 2774482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).