1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine

C16H18N2O3 — CID 127041462

IUPAC1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine
SMILESO=[N+]([O-])c1ccc(CN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C16H18N2O3/c19-18(20)16-7-6-15(21-16)12-17-10-8-14(9-11-17)13-4-2-1-3-5-13/h1-7,14H,8-12H2
InChIKeyVVAHLTLSTXGDOE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.57
Rot. Bonds4

About 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine

1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine (PubChem CID 127041462) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine
PubChem CID127041462
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine
SMILESO=[N+]([O-])c1ccc(CN2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C16H18N2O3/c19-18(20)16-7-6-15(21-16)12-17-10-8-14(9-11-17)13-4-2-1-3-5-13/h1-7,14H,8-12H2
InChIKeyVVAHLTLSTXGDOE-UHFFFAOYSA-N
XLogP3.57
TPSA59.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
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 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine 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 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine?
The IUPAC name of 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine (CID 127041462) is 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine?
The canonical SMILES for 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine is O=[N+]([O-])c1ccc(CN2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine?
The InChIKey is VVAHLTLSTXGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-18(20)16-7-6-15(21-16)12-17-10-8-14(9-11-17)13-4-2-1-3-5-13/h1-7,14H,8-12H2.
What are the key properties of 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine?
1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine has a molecular weight of 286.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperidine is sourced from PubChem (CID 127041462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).