1-(2-nitro-3-phenylphenyl)piperidine

C17H18N2O2 — CID 139243136

IUPAC1-(2-nitro-3-phenylphenyl)piperidine
SMILESO=[N+]([O-])c1c(-c2ccccc2)cccc1N1CCCCC1
InChIInChI=1S/C17H18N2O2/c20-19(21)17-15(14-8-3-1-4-9-14)10-7-11-16(17)18-12-5-2-6-13-18/h1,3-4,7-11H,2,5-6,12-13H2
InChIKeyOKUMMQANRZNLNQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.25
Rot. Bonds3

About 1-(2-nitro-3-phenylphenyl)piperidine

1-(2-nitro-3-phenylphenyl)piperidine (PubChem CID 139243136) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-nitro-3-phenylphenyl)piperidine.

Molecular Properties

Compound Name1-(2-nitro-3-phenylphenyl)piperidine
PubChem CID139243136
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2-nitro-3-phenylphenyl)piperidine
SMILESO=[N+]([O-])c1c(-c2ccccc2)cccc1N1CCCCC1
InChIInChI=1S/C17H18N2O2/c20-19(21)17-15(14-8-3-1-4-9-14)10-7-11-16(17)18-12-5-2-6-13-18/h1,3-4,7-11H,2,5-6,12-13H2
InChIKeyOKUMMQANRZNLNQ-UHFFFAOYSA-N
XLogP4.25
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-nitro-3-phenylphenyl)piperidine?
The IUPAC name of 1-(2-nitro-3-phenylphenyl)piperidine (CID 139243136) is 1-(2-nitro-3-phenylphenyl)piperidine.
What is the SMILES notation for 1-(2-nitro-3-phenylphenyl)piperidine?
The canonical SMILES for 1-(2-nitro-3-phenylphenyl)piperidine is O=[N+]([O-])c1c(-c2ccccc2)cccc1N1CCCCC1.
What is the InChIKey of 1-(2-nitro-3-phenylphenyl)piperidine?
The InChIKey is OKUMMQANRZNLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-19(21)17-15(14-8-3-1-4-9-14)10-7-11-16(17)18-12-5-2-6-13-18/h1,3-4,7-11H,2,5-6,12-13H2.
What are the key properties of 1-(2-nitro-3-phenylphenyl)piperidine?
1-(2-nitro-3-phenylphenyl)piperidine has a molecular weight of 282.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitro-3-phenylphenyl)piperidine is sourced from PubChem (CID 139243136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).