4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine

C18H21N3O — CID 51371060

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine
SMILESCOc1ccc(/C=C/c2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H21N3O/c1-22-17-9-6-15(7-10-17)5-8-16-11-12-19-18(20-16)21-13-3-2-4-14-21/h5-12H,2-4,13-14H2,1H3/b8-5+
InChIKeyYAGSZIRGVCTGBI-VMPITWQZSA-N
MW295.39 g/mol
LogP3.65
Rot. Bonds4

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine

4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine (PubChem CID 51371060) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine
PubChem CID51371060
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine
SMILESCOc1ccc(/C=C/c2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C18H21N3O/c1-22-17-9-6-15(7-10-17)5-8-16-11-12-19-18(20-16)21-13-3-2-4-14-21/h5-12H,2-4,13-14H2,1H3/b8-5+
InChIKeyYAGSZIRGVCTGBI-VMPITWQZSA-N
XLogP3.65
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine (CID 51371060) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine is COc1ccc(/C=C/c2ccnc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine?
The InChIKey is YAGSZIRGVCTGBI-VMPITWQZSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-17-9-6-15(7-10-17)5-8-16-11-12-19-18(20-16)21-13-3-2-4-14-21/h5-12H,2-4,13-14H2,1H3/b8-5+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine?
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine has a molecular weight of 295.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 51371060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).