4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol

C14H18N2O3 — CID 76609179

IUPAC4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol
SMILESCN1CCC(C=Cc2ccc(O)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H18N2O3/c1-15-8-6-11(7-9-15)2-3-12-4-5-14(17)13(10-12)16(18)19/h2-5,10-11,17H,6-9H2,1H3
InChIKeyWUFYKPFRSSHDSS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.66
Rot. Bonds3

About 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol

4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol (PubChem CID 76609179) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol
PubChem CID76609179
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol
SMILESCN1CCC(C=Cc2ccc(O)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H18N2O3/c1-15-8-6-11(7-9-15)2-3-12-4-5-14(17)13(10-12)16(18)19/h2-5,10-11,17H,6-9H2,1H3
InChIKeyWUFYKPFRSSHDSS-UHFFFAOYSA-N
XLogP2.66
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-nitro-4-[(E)-prop-1-enyl]phenol
CID 163947820
4-[(E)-2-cyclopropylethenyl]-2-nitrobenzaldehyde
CID 90371536
4-hydroxy-3-nitrobenzaldehyde
CID 18169
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602
4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-nitrophenyl]ethanone
CID 104613484
(1E,6E)-1-(4-hydroxy-3-nitrophenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554736
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
(2E,6S)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-6-methylcyclohexan-1-one
CID 9028778
3-(4-hydroxy-3-nitrophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 78574200
4-cyclopropyl-2-nitrophenol
CID 12608020
4-(4-methylpiperazine-1-carboximidoyl)-2-nitrophenol
CID 135965166

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol?
The IUPAC name of 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol (CID 76609179) is 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol.
What is the SMILES notation for 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol?
The canonical SMILES for 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol is CN1CCC(C=Cc2ccc(O)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol?
The InChIKey is WUFYKPFRSSHDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-8-6-11(7-9-15)2-3-12-4-5-14(17)13(10-12)16(18)19/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol?
4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol has a molecular weight of 262.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpiperidin-4-yl)ethenyl]-2-nitrophenol is sourced from PubChem (CID 76609179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).