cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine

C12H18N2 — CID 173151829

IUPACcyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(\C1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C12H18N2/c13-12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h3,7-8,13H,1-2,4-6,9-10H2/b13-12+
InChIKeyMWIOFDBNPXRPDZ-OUKQBFOZSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds1

About cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine

cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine (PubChem CID 173151829) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine
PubChem CID173151829
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Namecyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine
SMILES[H]/N=C(\C1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C12H18N2/c13-12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h3,7-8,13H,1-2,4-6,9-10H2/b13-12+
InChIKeyMWIOFDBNPXRPDZ-OUKQBFOZSA-N
XLogP2.73
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine?
The IUPAC name of cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine (CID 173151829) is cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine?
The canonical SMILES for cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine is [H]/N=C(\C1=CCCC=C1)N1CCCCC1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine?
The InChIKey is MWIOFDBNPXRPDZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2/c13-12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h3,7-8,13H,1-2,4-6,9-10H2/b13-12+.
What are the key properties of cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine?
cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine has a molecular weight of 190.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine is sourced from PubChem (CID 173151829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).