1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine

C27H38N4O2 — CID 86567481

IUPAC1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
SMILESCN1CCN(CCOc2ccc3c(c2)Cc2cc(OCCN4CCN(C)CC4)ccc2-3)CC1
InChIInChI=1S/C27H38N4O2/c1-28-7-11-30(12-8-28)15-17-32-24-3-5-26-22(20-24)19-23-21-25(4-6-27(23)26)33-18-16-31-13-9-29(2)10-14-31/h3-6,20-21H,7-19H2,1-2H3
InChIKeyHVXCDFMSWFOAIP-UHFFFAOYSA-N
MW450.63 g/mol
LogP2.51
Rot. Bonds8

About 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine

1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine (PubChem CID 86567481) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
PubChem CID86567481
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
SMILESCN1CCN(CCOc2ccc3c(c2)Cc2cc(OCCN4CCN(C)CC4)ccc2-3)CC1
InChIInChI=1S/C27H38N4O2/c1-28-7-11-30(12-8-28)15-17-32-24-3-5-26-22(20-24)19-23-21-25(4-6-27(23)26)33-18-16-31-13-9-29(2)10-14-31/h3-6,20-21H,7-19H2,1-2H3
InChIKeyHVXCDFMSWFOAIP-UHFFFAOYSA-N
XLogP2.51
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine (CID 86567481) is 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine is CN1CCN(CCOc2ccc3c(c2)Cc2cc(OCCN4CCN(C)CC4)ccc2-3)CC1.
What is the InChIKey of 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine?
The InChIKey is HVXCDFMSWFOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-28-7-11-30(12-8-28)15-17-32-24-3-5-26-22(20-24)19-23-21-25(4-6-27(23)26)33-18-16-31-13-9-29(2)10-14-31/h3-6,20-21H,7-19H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine?
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine has a molecular weight of 450.63 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine is sourced from PubChem (CID 86567481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).