2-nitro-4-(piperidine-1-carboximidoyl)phenol

C12H15N3O3 — CID 135965160

IUPAC2-nitro-4-(piperidine-1-carboximidoyl)phenol
SMILES[H]/N=C(/c1ccc(O)c([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C12H15N3O3/c13-12(14-6-2-1-3-7-14)9-4-5-11(16)10(8-9)15(17)18/h4-5,8,13,16H,1-3,6-7H2/b13-12-
InChIKeySHVHVCSPJZAEET-SEYXRHQNSA-N
MW249.27 g/mol
LogP2.11
Rot. Bonds2

About 2-nitro-4-(piperidine-1-carboximidoyl)phenol

2-nitro-4-(piperidine-1-carboximidoyl)phenol (PubChem CID 135965160) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-nitro-4-(piperidine-1-carboximidoyl)phenol.

Molecular Properties

Compound Name2-nitro-4-(piperidine-1-carboximidoyl)phenol
PubChem CID135965160
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-nitro-4-(piperidine-1-carboximidoyl)phenol
SMILES[H]/N=C(/c1ccc(O)c([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C12H15N3O3/c13-12(14-6-2-1-3-7-14)9-4-5-11(16)10(8-9)15(17)18/h4-5,8,13,16H,1-3,6-7H2/b13-12-
InChIKeySHVHVCSPJZAEET-SEYXRHQNSA-N
XLogP2.11
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-4-(piperidine-1-carboximidoyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 135965167
4-(4-methylpiperazine-1-carboximidoyl)-2-nitrophenol
CID 135965166
2-nitro-4-(pyrrolidine-1-carboximidoyl)aniline
CID 70556660
azocan-1-yl-(3-hydroxy-4-nitrophenyl)methanone
CID 103604579
2-nitro-4-pyrrolidin-1-ylphenol
CID 57325180
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748
(3-bromophenyl)-pyrrolidin-1-ylmethanimine
CID 62047755
2-(4-hydroxy-3-nitrophenyl)ethanimidamide
CID 151168662
(4-hydroxy-3-nitrophenyl)-piperidin-4-ylmethanone
CID 96827821
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083
4-hydroxy-N,N-dimethyl-3-nitrobenzamide
CID 82993461

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(piperidine-1-carboximidoyl)phenol?
The IUPAC name of 2-nitro-4-(piperidine-1-carboximidoyl)phenol (CID 135965160) is 2-nitro-4-(piperidine-1-carboximidoyl)phenol.
What is the SMILES notation for 2-nitro-4-(piperidine-1-carboximidoyl)phenol?
The canonical SMILES for 2-nitro-4-(piperidine-1-carboximidoyl)phenol is [H]/N=C(/c1ccc(O)c([N+](=O)[O-])c1)N1CCCCC1.
What is the InChIKey of 2-nitro-4-(piperidine-1-carboximidoyl)phenol?
The InChIKey is SHVHVCSPJZAEET-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-12(14-6-2-1-3-7-14)9-4-5-11(16)10(8-9)15(17)18/h4-5,8,13,16H,1-3,6-7H2/b13-12-.
What are the key properties of 2-nitro-4-(piperidine-1-carboximidoyl)phenol?
2-nitro-4-(piperidine-1-carboximidoyl)phenol has a molecular weight of 249.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-(piperidine-1-carboximidoyl)phenol is sourced from PubChem (CID 135965160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).