1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine

C15H21ClN2O — CID 3059126

IUPAC1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine
SMILESCC(=NOCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-13(14-5-7-15(16)8-6-14)17-19-12-11-18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3
InChIKeyPIXUETYVRWSXCI-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine

1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine (PubChem CID 3059126) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine
PubChem CID3059126
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine
SMILESCC(=NOCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-13(14-5-7-15(16)8-6-14)17-19-12-11-18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3
InChIKeyPIXUETYVRWSXCI-UHFFFAOYSA-N
XLogP3.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine (CID 3059126) is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine is CC(=NOCCN1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine?
The InChIKey is PIXUETYVRWSXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-13(14-5-7-15(16)8-6-14)17-19-12-11-18-9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine?
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine has a molecular weight of 280.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine is sourced from PubChem (CID 3059126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).