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

C20H23ClN2O2 — CID 6902534

IUPAC(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
SMILESCOc1cc(/C=N/N2CCCCC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-24-20-13-16(14-22-23-11-5-2-6-12-23)9-10-19(20)25-15-17-7-3-4-8-18(17)21/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3/b22-14+
InChIKeySUDHGOCSJDQCBK-HYARGMPZSA-N
MW358.87 g/mol
LogP4.75
Rot. Bonds6

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

(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine (PubChem CID 6902534) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
PubChem CID6902534
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
SMILESCOc1cc(/C=N/N2CCCCC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-24-20-13-16(14-22-23-11-5-2-6-12-23)9-10-19(20)25-15-17-7-3-4-8-18(17)21/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3/b22-14+
InChIKeySUDHGOCSJDQCBK-HYARGMPZSA-N
XLogP4.75
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.75
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-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
CID 6902506
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 23908591
4-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 7672189
1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 1125280
[4-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 6011567
4-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 126062943
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
2-chloro-5-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6145645
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576315
3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842449

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine (CID 6902534) is (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine is COc1cc(/C=N/N2CCCCC2)ccc1OCc1ccccc1Cl.
What is the InChIKey of (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
The InChIKey is SUDHGOCSJDQCBK-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-24-20-13-16(14-22-23-11-5-2-6-12-23)9-10-19(20)25-15-17-7-3-4-8-18(17)21/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3/b22-14+.
What are the key properties of (E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine?
(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine has a molecular weight of 358.87 g/mol, XLogP of 4.75, 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-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 6902534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).