1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone

C21H24N2O2 — CID 126236474

IUPAC1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone
SMILESCOc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H24N2O2/c1-16(24)17-6-9-19(10-7-17)22-15-18-8-11-20(14-21(18)25-2)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3/b22-15+
InChIKeyBSWPWPYHIYIYJK-PXLXIMEGSA-N
MW336.44 g/mol
LogP4.64
Rot. Bonds5

About 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone

1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone (PubChem CID 126236474) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone
PubChem CID126236474
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone
SMILESCOc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(C)=O)cc1
InChIInChI=1S/C21H24N2O2/c1-16(24)17-6-9-19(10-7-17)22-15-18-8-11-20(14-21(18)25-2)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3/b22-15+
InChIKeyBSWPWPYHIYIYJK-PXLXIMEGSA-N
XLogP4.64
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.64
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

4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol
CID 126239963
1-(2-methoxy-4-piperidin-1-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126234630
methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126245259
1-(2-methoxy-4-piperidin-1-ylphenyl)-N-[4-(4-nitrophenyl)sulfanylphenyl]methanimine
CID 126259029
4-hydroxy-N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 126243453
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699
5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol
CID 126251493
4-[(E)-1-cyano-2-(2-methoxy-4-piperidin-1-ylphenyl)ethenyl]benzoate
CID 7366481
4-methoxy-2-[(4-piperidin-1-ylphenyl)iminomethyl]phenol
CID 135774295
N-[(Z)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 126246937
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(4-bromo-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126227520

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone (CID 126236474) is 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone is COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone?
The InChIKey is BSWPWPYHIYIYJK-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(24)17-6-9-19(10-7-17)22-15-18-8-11-20(14-21(18)25-2)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3/b22-15+.
What are the key properties of 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone?
1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 126236474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).