2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine

C28H36N4O2 — CID 25157850

IUPAC2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine
SMILESCOc1cccc(CCc2ccccc2OCCCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C28H36N4O2/c1-33-26-11-7-9-24(23-26)13-14-25-10-3-4-12-27(25)34-22-6-2-5-17-31-18-20-32(21-19-31)28-29-15-8-16-30-28/h3-4,7-12,15-16,23H,2,5-6,13-14,17-22H2,1H3
InChIKeyIWPZKLGRHSHYJD-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.64
Rot. Bonds12

About 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine

2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine (PubChem CID 25157850) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine
PubChem CID25157850
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine
SMILESCOc1cccc(CCc2ccccc2OCCCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C28H36N4O2/c1-33-26-11-7-9-24(23-26)13-14-25-10-3-4-12-27(25)34-22-6-2-5-17-31-18-20-32(21-19-31)28-29-15-8-16-30-28/h3-4,7-12,15-16,23H,2,5-6,13-14,17-22H2,1H3
InChIKeyIWPZKLGRHSHYJD-UHFFFAOYSA-N
XLogP4.64
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine 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 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine (CID 25157850) is 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine is COc1cccc(CCc2ccccc2OCCCCCN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine?
The InChIKey is IWPZKLGRHSHYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-33-26-11-7-9-24(23-26)13-14-25-10-3-4-12-27(25)34-22-6-2-5-17-31-18-20-32(21-19-31)28-29-15-8-16-30-28/h3-4,7-12,15-16,23H,2,5-6,13-14,17-22H2,1H3.
What are the key properties of 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine?
2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine has a molecular weight of 460.62 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 25157850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).