2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol

C28H27Cl2FN2O — CID 11466120

IUPAC2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol
SMILESOCCn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H27Cl2FN2O/c29-24-7-4-8-25(30)27(24)19-11-13-32(14-12-19)18-23-22-17-21(31)9-10-26(22)33(15-16-34)28(23)20-5-2-1-3-6-20/h1-10,17,19,34H,11-16,18H2
InChIKeyNAARPFCCDFSORD-UHFFFAOYSA-N
MW497.44 g/mol
LogP7.13
Rot. Bonds6

About 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol

2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol (PubChem CID 11466120) has the molecular formula C28H27Cl2FN2O and a molecular weight of 497.44 g/mol. Its IUPAC name is 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol
PubChem CID11466120
Molecular FormulaC28H27Cl2FN2O
Molecular Weight497.44 g/mol
Exact Mass496.15
IUPAC Name2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol
SMILESOCCn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H27Cl2FN2O/c29-24-7-4-8-25(30)27(24)19-11-13-32(14-12-19)18-23-22-17-21(31)9-10-26(22)33(15-16-34)28(23)20-5-2-1-3-6-20/h1-10,17,19,34H,11-16,18H2
InChIKeyNAARPFCCDFSORD-UHFFFAOYSA-N
XLogP7.13
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.44
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol?
The IUPAC name of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol (CID 11466120) is 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol?
The canonical SMILES for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol is OCCn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol?
The InChIKey is NAARPFCCDFSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2FN2O/c29-24-7-4-8-25(30)27(24)19-11-13-32(14-12-19)18-23-22-17-21(31)9-10-26(22)33(15-16-34)28(23)20-5-2-1-3-6-20/h1-10,17,19,34H,11-16,18H2.
What are the key properties of 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol?
2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol has a molecular weight of 497.44 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-5-fluoro-2-phenylindol-1-yl]ethanol is sourced from PubChem (CID 11466120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).