1-(4-ethenyl-3-nitrophenyl)piperidine

C13H16N2O2 — CID 67906048

IUPAC1-(4-ethenyl-3-nitrophenyl)piperidine
SMILESC=Cc1ccc(N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O2/c1-2-11-6-7-12(10-13(11)15(16)17)14-8-4-3-5-9-14/h2,6-7,10H,1,3-5,8-9H2
InChIKeyFBVOBWMQNQMTJJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-ethenyl-3-nitrophenyl)piperidine

1-(4-ethenyl-3-nitrophenyl)piperidine (PubChem CID 67906048) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(4-ethenyl-3-nitrophenyl)piperidine.

Molecular Properties

Compound Name1-(4-ethenyl-3-nitrophenyl)piperidine
PubChem CID67906048
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(4-ethenyl-3-nitrophenyl)piperidine
SMILESC=Cc1ccc(N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O2/c1-2-11-6-7-12(10-13(11)15(16)17)14-8-4-3-5-9-14/h2,6-7,10H,1,3-5,8-9H2
InChIKeyFBVOBWMQNQMTJJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethenyl-3-nitrophenyl)morpholine
CID 141147402
2-nitro-4-pyrrolidin-1-ylphenol
CID 57325180
1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
1-(3-ethenyl-4-methylphenyl)piperidine
CID 174639295
2-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]benzaldehyde
CID 87381804
1-(4-methyl-3-nitrophenyl)-4-prop-2-enylpiperazine
CID 22345192
4-[4-(2-methoxyethyl)piperazin-1-yl]-2-nitrobenzaldehyde
CID 86628216
4-(azetidin-1-yl)-N-cyclobutyl-2-nitroaniline
CID 162531108
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
1-(3-nitrophenyl)pyrrolidine
CID 698267
(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560815
1-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]azepane
CID 2941674

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-3-nitrophenyl)piperidine?
The IUPAC name of 1-(4-ethenyl-3-nitrophenyl)piperidine (CID 67906048) is 1-(4-ethenyl-3-nitrophenyl)piperidine.
What is the SMILES notation for 1-(4-ethenyl-3-nitrophenyl)piperidine?
The canonical SMILES for 1-(4-ethenyl-3-nitrophenyl)piperidine is C=Cc1ccc(N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-ethenyl-3-nitrophenyl)piperidine?
The InChIKey is FBVOBWMQNQMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-11-6-7-12(10-13(11)15(16)17)14-8-4-3-5-9-14/h2,6-7,10H,1,3-5,8-9H2.
What are the key properties of 1-(4-ethenyl-3-nitrophenyl)piperidine?
1-(4-ethenyl-3-nitrophenyl)piperidine has a molecular weight of 232.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-3-nitrophenyl)piperidine is sourced from PubChem (CID 67906048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).