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

C15H22Cl2N2O — CID 3059125

IUPAC1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride
SMILESCC(=NOCCN1CCCCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/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;1H
InChIKeyJMLYGCHTFNQUPP-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.99
Rot. Bonds5

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

1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride (PubChem CID 3059125) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride
PubChem CID3059125
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride
SMILESCC(=NOCCN1CCCCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/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;1H
InChIKeyJMLYGCHTFNQUPP-UHFFFAOYSA-N
XLogP3.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.99
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;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride (CID 3059125) is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride is CC(=NOCCN1CCCCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride?
The InChIKey is JMLYGCHTFNQUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/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;1H.
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride?
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.99, 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;hydrochloride is sourced from PubChem (CID 3059125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).