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

C15H20N2O2 — CID 5339411

IUPAC2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
SMILESCC1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O2/c1-13-7-4-5-11-16(13)12-6-9-14-8-2-3-10-15(14)17(18)19/h2-3,6,8-10,13H,4-5,7,11-12H2,1H3/b9-6+
InChIKeyWDUFHALGCCZXFY-RMKNXTFCSA-N
MW260.34 g/mol
LogP3.48
Rot. Bonds4

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

2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine (PubChem CID 5339411) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
PubChem CID5339411
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
SMILESCC1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O2/c1-13-7-4-5-11-16(13)12-6-9-14-8-2-3-10-15(14)17(18)19/h2-3,6,8-10,13H,4-5,7,11-12H2,1H3/b9-6+
InChIKeyWDUFHALGCCZXFY-RMKNXTFCSA-N
XLogP3.48
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.48
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 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
The IUPAC name of 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine (CID 5339411) is 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
The canonical SMILES for 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine is CC1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
The InChIKey is WDUFHALGCCZXFY-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-13-7-4-5-11-16(13)12-6-9-14-8-2-3-10-15(14)17(18)19/h2-3,6,8-10,13H,4-5,7,11-12H2,1H3/b9-6+.
What are the key properties of 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine?
2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine has a molecular weight of 260.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 5339411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).