(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine

C20H22Cl2N2O2 — CID 6902506

IUPAC(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
SMILESCOc1cc(/C=N/N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-25-20-11-15(13-23-24-9-3-2-4-10-24)5-8-19(20)26-14-16-6-7-17(21)12-18(16)22/h5-8,11-13H,2-4,9-10,14H2,1H3/b23-13+
InChIKeyMPOJLNABINCJIM-YDZHTSKRSA-N
MW393.31 g/mol
LogP5.40
Rot. Bonds6

About (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine

(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine (PubChem CID 6902506) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
PubChem CID6902506
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
SMILESCOc1cc(/C=N/N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-25-20-11-15(13-23-24-9-3-2-4-10-24)5-8-19(20)26-14-16-6-7-17(21)12-18(16)22/h5-8,11-13H,2-4,9-10,14H2,1H3/b23-13+
InChIKeyMPOJLNABINCJIM-YDZHTSKRSA-N
XLogP5.40
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
CID 6902534
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
(1R,2R,6S,7R)-4-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124539731
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 19059944
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 6894192
methyl N'-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamimidothioate
CID 110510323
(E)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 20998082
4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 3304653
3-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 23737597

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine (CID 6902506) is (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine is COc1cc(/C=N/N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
The InChIKey is MPOJLNABINCJIM-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-25-20-11-15(13-23-24-9-3-2-4-10-24)5-8-19(20)26-14-16-6-7-17(21)12-18(16)22/h5-8,11-13H,2-4,9-10,14H2,1H3/b23-13+.
What are the key properties of (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine has a molecular weight of 393.31 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 6902506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).