2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone

C15H18Cl2N2O2 — CID 158757229

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone
SMILESCN1CCCCC1C(=O)C/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H18Cl2N2O2/c1-19-5-3-2-4-13(19)14(20)9-18-8-10-6-11(16)7-12(17)15(10)21/h6-8,13,21H,2-5,9H2,1H3/b18-8+
InChIKeyIOFKWUDCRTXRTN-QGMBQPNBSA-N
MW329.23 g/mol
LogP3.17
Rot. Bonds4

About 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone

2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone (PubChem CID 158757229) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone
PubChem CID158757229
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone
SMILESCN1CCCCC1C(=O)C/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H18Cl2N2O2/c1-19-5-3-2-4-13(19)14(20)9-18-8-10-6-11(16)7-12(17)15(10)21/h6-8,13,21H,2-5,9H2,1H3/b18-8+
InChIKeyIOFKWUDCRTXRTN-QGMBQPNBSA-N
XLogP3.17
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one
CID 135595142
2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 2265555
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
CID 135598021
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide
CID 135596146
2,4-dichloro-6-[[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758215
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
ethyl 1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 2845776
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
(2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylpentanoic acid
CID 136740401

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone (CID 158757229) is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone is CN1CCCCC1C(=O)C/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone?
The InChIKey is IOFKWUDCRTXRTN-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-19-5-3-2-4-13(19)14(20)9-18-8-10-6-11(16)7-12(17)15(10)21/h6-8,13,21H,2-5,9H2,1H3/b18-8+.
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone?
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone has a molecular weight of 329.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 158757229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).