2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol

C28H30FN3O2 — CID 141334000

IUPAC2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol
SMILESCc1c(F)cccc1Cc1c(N2CCNCC2)c2ccc(OCCO)cc2n1-c1ccccc1
InChIInChI=1S/C28H30FN3O2/c1-20-21(6-5-9-25(20)29)18-27-28(31-14-12-30-13-15-31)24-11-10-23(34-17-16-33)19-26(24)32(27)22-7-3-2-4-8-22/h2-11,19,30,33H,12-18H2,1H3
InChIKeyUNCWPZJFOSYOJE-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.45
Rot. Bonds7

About 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol

2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol (PubChem CID 141334000) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol
PubChem CID141334000
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC Name2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol
SMILESCc1c(F)cccc1Cc1c(N2CCNCC2)c2ccc(OCCO)cc2n1-c1ccccc1
InChIInChI=1S/C28H30FN3O2/c1-20-21(6-5-9-25(20)29)18-27-28(31-14-12-30-13-15-31)24-11-10-23(34-17-16-33)19-26(24)32(27)22-7-3-2-4-8-22/h2-11,19,30,33H,12-18H2,1H3
InChIKeyUNCWPZJFOSYOJE-UHFFFAOYSA-N
XLogP4.45
TPSA49.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol?
The IUPAC name of 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol (CID 141334000) is 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol.
What is the SMILES notation for 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol?
The canonical SMILES for 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol is Cc1c(F)cccc1Cc1c(N2CCNCC2)c2ccc(OCCO)cc2n1-c1ccccc1.
What is the InChIKey of 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol?
The InChIKey is UNCWPZJFOSYOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-20-21(6-5-9-25(20)29)18-27-28(31-14-12-30-13-15-31)24-11-10-23(34-17-16-33)19-26(24)32(27)22-7-3-2-4-8-22/h2-11,19,30,33H,12-18H2,1H3.
What are the key properties of 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol?
2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol has a molecular weight of 459.57 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluoro-2-methylphenyl)methyl]-1-phenyl-3-piperazin-1-ylindol-6-yl]oxyethanol is sourced from PubChem (CID 141334000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).