1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine

C14H18N2O2 — CID 783484

IUPAC1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCCCC1
InChIInChI=1S/C14H18N2O2/c17-16(18)14-9-3-2-7-13(14)8-6-12-15-10-4-1-5-11-15/h2-3,6-9H,1,4-5,10-12H2/b8-6+
InChIKeyFDNXSQGWMSLYCN-SOFGYWHQSA-N
MW246.31 g/mol
LogP3.09
Rot. Bonds4

About 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine

1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine (PubChem CID 783484) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
PubChem CID783484
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCCCC1
InChIInChI=1S/C14H18N2O2/c17-16(18)14-9-3-2-7-13(14)8-6-12-15-10-4-1-5-11-15/h2-3,6-9H,1,4-5,10-12H2/b8-6+
InChIKeyFDNXSQGWMSLYCN-SOFGYWHQSA-N
XLogP3.09
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.09
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'}

Analyze 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine 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

2,2'-Dinitrobibenzyl
CID 28168
Phenylpropylamine derivative 3
CID 46212857
Benzene, 1,1'-(1,2-ethenediyl)bis(2-nitro-
CID 5704852
N,N-Diethyl-4-[(E)-2-nitroethenyl]aniline
CID 5375781
1-Ethyl-2-nitrobenzene
CID 69156
1-Nitro-2-propylbenzene
CID 138939
LY 97241
CID 175064
1-(4-Nitrophenethyl)pyrrolidine
CID 10536901
(2R)-2-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 23635021
2-Methyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
CID 60509567
1-(Cyclohexylmethyl)-4-(4-nitrophenyl)piperazine
CID 2845860
1-(3-Methyl-4-nitrophenyl)piperidine
CID 8146215

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
The IUPAC name of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine (CID 783484) is 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine is O=[N+]([O-])c1ccccc1/C=C/CN1CCCCC1.
What is the InChIKey of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
The InChIKey is FDNXSQGWMSLYCN-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-16(18)14-9-3-2-7-13(14)8-6-12-15-10-4-1-5-11-15/h2-3,6-9H,1,4-5,10-12H2/b8-6+.
What are the key properties of 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine has a molecular weight of 246.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 783484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).