1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine

C24H27N3O2 — CID 162676676

IUPAC1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine
SMILESc1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-5-23(6-3-1)29-24-9-7-22(8-10-24)28-20-4-15-26-16-18-27(19-17-26)21-11-13-25-14-12-21/h1-3,5-14H,4,15-20H2
InChIKeyGCXYUJQPRFLTRZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.47
Rot. Bonds8

About 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine

1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine (PubChem CID 162676676) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine
PubChem CID162676676
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine
SMILESc1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-5-23(6-3-1)29-24-9-7-22(8-10-24)28-20-4-15-26-16-18-27(19-17-26)21-11-13-25-14-12-21/h1-3,5-14H,4,15-20H2
InChIKeyGCXYUJQPRFLTRZ-UHFFFAOYSA-N
XLogP4.47
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine (CID 162676676) is 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine is c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1.
What is the InChIKey of 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine?
The InChIKey is GCXYUJQPRFLTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-5-23(6-3-1)29-24-9-7-22(8-10-24)28-20-4-15-26-16-18-27(19-17-26)21-11-13-25-14-12-21/h1-3,5-14H,4,15-20H2.
What are the key properties of 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine?
1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine has a molecular weight of 389.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenoxyphenoxy)propyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 162676676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).