(E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine

C22H33ClN2O — CID 24840587

IUPAC(E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine
SMILESCCCCCCC(/C=C/c1ccc(Cl)cc1)=N\OCCN1CCCCC1
InChIInChI=1S/C22H33ClN2O/c1-2-3-4-6-9-22(15-12-20-10-13-21(23)14-11-20)24-26-19-18-25-16-7-5-8-17-25/h10-15H,2-9,16-19H2,1H3/b15-12+,24-22+
InChIKeyAPUXJVWUDISVHN-GRXRNDOGSA-N
MW376.97 g/mol
LogP6.18
Rot. Bonds11

About (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine

(E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine (PubChem CID 24840587) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine.

Molecular Properties

Compound Name(E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine
PubChem CID24840587
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC Name(E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine
SMILESCCCCCCC(/C=C/c1ccc(Cl)cc1)=N\OCCN1CCCCC1
InChIInChI=1S/C22H33ClN2O/c1-2-3-4-6-9-22(15-12-20-10-13-21(23)14-11-20)24-26-19-18-25-16-7-5-8-17-25/h10-15H,2-9,16-19H2,1H3/b15-12+,24-22+
InChIKeyAPUXJVWUDISVHN-GRXRNDOGSA-N
XLogP6.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.97
LogP ≤ 56.18
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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Related Compounds

(R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-methyl-oxime
CID 44290811
(S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-methyl-oxime
CID 44291112
(Z,4S)-4-(4-chlorophenyl)-N-methoxy-1-azabicyclo[3.2.1]octan-6-imine
CID 44291102
(E,4R)-4-(4-chlorophenyl)-N-methoxy-1-azabicyclo[3.2.1]octan-6-imine
CID 44291180
Ethanone, 1-(4-chlorophenyl)-, O-(2-(dimethylamino)ethyl)oxime, hydrochloride
CID 6510000
Ethanone, 1-(4-chlorophenyl)-, O-(2-(diethylamino)ethyl)oxime, hydrochloride
CID 6510001
Ethanone, 1-(4-chlorophenyl)-, O-(2-(1-pyrrolidinyl)ethyl)oxime, hydrochloride
CID 6510002
Ethanone, 1-(4-chlorophenyl)-, O-(2-(1-piperidinyl)ethyl)oxime, hydrochloride
CID 6510003
Ethanone, 1-(4-chlorophenyl)-, O-(2-(4-morpholinyl)ethyl)oxime, hydrochloride
CID 6510004
1-(4-chlorophenyl)-2-piperidino-1-ethanone O-methyloxime
CID 5920297
4-(4-chlorophenyl)-N-methoxy-1-azabicyclo[3.2.1]octan-6-imine
CID 49824095
Benzaldehyde, p-chloro-, O-(2-(4-methyl-1-piperazinyl)ethyl)oxime, dihydrochloride, (E)-
CID 9570693

Frequently Asked Questions

What is the IUPAC name of (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine?
The IUPAC name of (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine (CID 24840587) is (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine.
What is the SMILES notation for (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine?
The canonical SMILES for (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine is CCCCCCC(/C=C/c1ccc(Cl)cc1)=N\OCCN1CCCCC1.
What is the InChIKey of (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine?
The InChIKey is APUXJVWUDISVHN-GRXRNDOGSA-N. The full InChI is InChI=1S/C22H33ClN2O/c1-2-3-4-6-9-22(15-12-20-10-13-21(23)14-11-20)24-26-19-18-25-16-7-5-8-17-25/h10-15H,2-9,16-19H2,1H3/b15-12+,24-22+.
What are the key properties of (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine?
(E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine has a molecular weight of 376.97 g/mol, XLogP of 6.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)non-1-en-3-imine is sourced from PubChem (CID 24840587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).