4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine

C30H34N4 — CID 71457447

IUPAC4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine
SMILESC(=C/c1cc(/C=C/c2ccc(N3CCCCC3)cc2)ncn1)\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C30H34N4/c1-3-19-33(20-4-1)29-15-9-25(10-16-29)7-13-27-23-28(32-24-31-27)14-8-26-11-17-30(18-12-26)34-21-5-2-6-22-34/h7-18,23-24H,1-6,19-22H2/b13-7+,14-8+
InChIKeyRHDLWPYBQRTXAH-FNCQTZNRSA-N
MW450.63 g/mol
LogP6.80
Rot. Bonds6

About 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine

4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine (PubChem CID 71457447) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine
PubChem CID71457447
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC Name4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine
SMILESC(=C/c1cc(/C=C/c2ccc(N3CCCCC3)cc2)ncn1)\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C30H34N4/c1-3-19-33(20-4-1)29-15-9-25(10-16-29)7-13-27-23-28(32-24-31-27)14-8-26-11-17-30(18-12-26)34-21-5-2-6-22-34/h7-18,23-24H,1-6,19-22H2/b13-7+,14-8+
InChIKeyRHDLWPYBQRTXAH-FNCQTZNRSA-N
XLogP6.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine?
The IUPAC name of 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine (CID 71457447) is 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine.
What is the SMILES notation for 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine?
The canonical SMILES for 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine is C(=C/c1cc(/C=C/c2ccc(N3CCCCC3)cc2)ncn1)\c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine?
The InChIKey is RHDLWPYBQRTXAH-FNCQTZNRSA-N. The full InChI is InChI=1S/C30H34N4/c1-3-19-33(20-4-1)29-15-9-25(10-16-29)7-13-27-23-28(32-24-31-27)14-8-26-11-17-30(18-12-26)34-21-5-2-6-22-34/h7-18,23-24H,1-6,19-22H2/b13-7+,14-8+.
What are the key properties of 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine?
4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine has a molecular weight of 450.63 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine is sourced from PubChem (CID 71457447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).