2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol

C19H23FN4O — CID 118060628

IUPAC2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H23FN4O/c20-16-1-2-17-18(11-21-19(17)9-16)15-10-22-24(13-15)12-14-3-5-23(6-4-14)7-8-25/h1-2,9-11,13-14,21,25H,3-8,12H2
InChIKeyTUGZIYDQIOFSDC-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.87
Rot. Bonds5

About 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol

2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol (PubChem CID 118060628) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
PubChem CID118060628
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H23FN4O/c20-16-1-2-17-18(11-21-19(17)9-16)15-10-22-24(13-15)12-14-3-5-23(6-4-14)7-8-25/h1-2,9-11,13-14,21,25H,3-8,12H2
InChIKeyTUGZIYDQIOFSDC-UHFFFAOYSA-N
XLogP2.87
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol (CID 118060628) is 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol is OCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol?
The InChIKey is TUGZIYDQIOFSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-16-1-2-17-18(11-21-19(17)9-16)15-10-22-24(13-15)12-14-3-5-23(6-4-14)7-8-25/h1-2,9-11,13-14,21,25H,3-8,12H2.
What are the key properties of 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol?
2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol has a molecular weight of 342.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 118060628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).