(E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine

C12H15N3O2 — CID 6902535

IUPAC(E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine
SMILESO=[N+]([O-])c1ccc(/C=N/N2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2/c16-15(17)12-6-4-11(5-7-12)10-13-14-8-2-1-3-9-14/h4-7,10H,1-3,8-9H2/b13-10+
InChIKeyQPQGLLKEELQLMD-JLHYYAGUSA-N
MW233.27 g/mol
LogP2.41
Rot. Bonds3

About (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine

(E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine (PubChem CID 6902535) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine
PubChem CID6902535
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine
SMILESO=[N+]([O-])c1ccc(/C=N/N2CCCCC2)cc1
InChIInChI=1S/C12H15N3O2/c16-15(17)12-6-4-11(5-7-12)10-13-14-8-2-1-3-9-14/h4-7,10H,1-3,8-9H2/b13-10+
InChIKeyQPQGLLKEELQLMD-JLHYYAGUSA-N
XLogP2.41
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine (CID 6902535) is (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine is O=[N+]([O-])c1ccc(/C=N/N2CCCCC2)cc1.
What is the InChIKey of (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine?
The InChIKey is QPQGLLKEELQLMD-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-15(17)12-6-4-11(5-7-12)10-13-14-8-2-1-3-9-14/h4-7,10H,1-3,8-9H2/b13-10+.
What are the key properties of (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine?
(E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine has a molecular weight of 233.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-nitrophenyl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 6902535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).