2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine

C30H28N4O2 — CID 69132907

IUPAC2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine
SMILESC(=C1CNC(=Cc2ccc(OCc3ccccc3)cn2)CN1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C30H28N4O2/c1-3-7-23(8-4-1)21-35-29-13-11-25(33-19-29)15-27-17-32-28(18-31-27)16-26-12-14-30(20-34-26)36-22-24-9-5-2-6-10-24/h1-16,19-20,31-32H,17-18,21-22H2
InChIKeyRFOLTZSJVPUUNP-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.21
Rot. Bonds8

About 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine

2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine (PubChem CID 69132907) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine.

Molecular Properties

Compound Name2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine
PubChem CID69132907
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine
SMILESC(=C1CNC(=Cc2ccc(OCc3ccccc3)cn2)CN1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C30H28N4O2/c1-3-7-23(8-4-1)21-35-29-13-11-25(33-19-29)15-27-17-32-28(18-31-27)16-26-12-14-30(20-34-26)36-22-24-9-5-2-6-10-24/h1-16,19-20,31-32H,17-18,21-22H2
InChIKeyRFOLTZSJVPUUNP-UHFFFAOYSA-N
XLogP5.21
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine?
The IUPAC name of 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine (CID 69132907) is 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine.
What is the SMILES notation for 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine?
The canonical SMILES for 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine is C(=C1CNC(=Cc2ccc(OCc3ccccc3)cn2)CN1)c1ccc(OCc2ccccc2)cn1.
What is the InChIKey of 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine?
The InChIKey is RFOLTZSJVPUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-3-7-23(8-4-1)21-35-29-13-11-25(33-19-29)15-27-17-32-28(18-31-27)16-26-12-14-30(20-34-26)36-22-24-9-5-2-6-10-24/h1-16,19-20,31-32H,17-18,21-22H2.
What are the key properties of 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine?
2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine has a molecular weight of 476.58 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine is sourced from PubChem (CID 69132907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).