3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one

C19H26N2O — CID 123944049

IUPAC3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one
SMILESO=C1C/C(=N\CCN2CCCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C19H26N2O/c22-19-14-17(16-7-3-1-4-8-16)13-18(15-19)20-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,17H,2,5-6,9-15H2/b20-18-
InChIKeyZTYVDLTYESRPSB-ZZEZOPTASA-N
MW298.43 g/mol
LogP3.45
Rot. Bonds4

About 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one

3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one (PubChem CID 123944049) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one.

Molecular Properties

Compound Name3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one
PubChem CID123944049
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one
SMILESO=C1C/C(=N\CCN2CCCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C19H26N2O/c22-19-14-17(16-7-3-1-4-8-16)13-18(15-19)20-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,17H,2,5-6,9-15H2/b20-18-
InChIKeyZTYVDLTYESRPSB-ZZEZOPTASA-N
XLogP3.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one?
The IUPAC name of 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one (CID 123944049) is 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one.
What is the SMILES notation for 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one?
The canonical SMILES for 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one is O=C1C/C(=N\CCN2CCCCC2)CC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one?
The InChIKey is ZTYVDLTYESRPSB-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H26N2O/c22-19-14-17(16-7-3-1-4-8-16)13-18(15-19)20-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,17H,2,5-6,9-15H2/b20-18-.
What are the key properties of 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one?
3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one has a molecular weight of 298.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one is sourced from PubChem (CID 123944049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).