1,4-bis[(3-phenoxyphenyl)methyl]piperazine

C30H30N2O2 — CID 57398670

IUPAC1,4-bis[(3-phenoxyphenyl)methyl]piperazine
SMILESc1ccc(Oc2cccc(CN3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)c2)cc1
InChIInChI=1S/C30H30N2O2/c1-3-11-27(12-4-1)33-29-15-7-9-25(21-29)23-31-17-19-32(20-18-31)24-26-10-8-16-30(22-26)34-28-13-5-2-6-14-28/h1-16,21-22H,17-20,23-24H2
InChIKeyADNLPBKGPDGHKU-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.59
Rot. Bonds8

About 1,4-bis[(3-phenoxyphenyl)methyl]piperazine

1,4-bis[(3-phenoxyphenyl)methyl]piperazine (PubChem CID 57398670) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1,4-bis[(3-phenoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(3-phenoxyphenyl)methyl]piperazine
PubChem CID57398670
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC Name1,4-bis[(3-phenoxyphenyl)methyl]piperazine
SMILESc1ccc(Oc2cccc(CN3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)c2)cc1
InChIInChI=1S/C30H30N2O2/c1-3-11-27(12-4-1)33-29-15-7-9-25(21-29)23-31-17-19-32(20-18-31)24-26-10-8-16-30(22-26)34-28-13-5-2-6-14-28/h1-16,21-22H,17-20,23-24H2
InChIKeyADNLPBKGPDGHKU-UHFFFAOYSA-N
XLogP6.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-bis[(3-phenoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(3-phenoxyphenyl)methyl]piperazine?
The IUPAC name of 1,4-bis[(3-phenoxyphenyl)methyl]piperazine (CID 57398670) is 1,4-bis[(3-phenoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1,4-bis[(3-phenoxyphenyl)methyl]piperazine?
The canonical SMILES for 1,4-bis[(3-phenoxyphenyl)methyl]piperazine is c1ccc(Oc2cccc(CN3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)c2)cc1.
What is the InChIKey of 1,4-bis[(3-phenoxyphenyl)methyl]piperazine?
The InChIKey is ADNLPBKGPDGHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-3-11-27(12-4-1)33-29-15-7-9-25(21-29)23-31-17-19-32(20-18-31)24-26-10-8-16-30(22-26)34-28-13-5-2-6-14-28/h1-16,21-22H,17-20,23-24H2.
What are the key properties of 1,4-bis[(3-phenoxyphenyl)methyl]piperazine?
1,4-bis[(3-phenoxyphenyl)methyl]piperazine has a molecular weight of 450.58 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(3-phenoxyphenyl)methyl]piperazine is sourced from PubChem (CID 57398670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).