4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine

C13H16N2O2 — CID 89361695

IUPAC4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine
SMILESO=[N+]([O-])c1ccccc1/C=C/C1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-15(17)13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-6,11,14H,7-10H2/b6-5+
InChIKeyVZWSKVBGPLSMFQ-AATRIKPKSA-N
MW232.28 g/mol
LogP2.61
Rot. Bonds3

About 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine

4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine (PubChem CID 89361695) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine.

Molecular Properties

Compound Name4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine
PubChem CID89361695
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine
SMILESO=[N+]([O-])c1ccccc1/C=C/C1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-15(17)13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-6,11,14H,7-10H2/b6-5+
InChIKeyVZWSKVBGPLSMFQ-AATRIKPKSA-N
XLogP2.61
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
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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Related Compounds

2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane
CID 11819867
tert-butyl 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine-1-carboxylate
CID 59686424
N-methyl-3-(2-nitrophenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 76994737
(2S,4R)-4-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]-1,3-dithiolane
CID 51708039
N-methyl-N-(2-nitrophenyl)piperidin-4-amine
CID 171544363
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
3-[(E)-2-(2-nitrophenyl)ethenyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525795
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine?
The IUPAC name of 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine (CID 89361695) is 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine.
What is the SMILES notation for 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine?
The canonical SMILES for 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine is O=[N+]([O-])c1ccccc1/C=C/C1CCNCC1.
What is the InChIKey of 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine?
The InChIKey is VZWSKVBGPLSMFQ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-15(17)13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-6,11,14H,7-10H2/b6-5+.
What are the key properties of 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine?
4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine has a molecular weight of 232.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine is sourced from PubChem (CID 89361695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).