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

C18H21FN4O — CID 118060524

IUPAC2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C18H21FN4O/c19-14-1-2-16-17(11-20-18(16)9-14)13-10-21-23(12-13)15-3-5-22(6-4-15)7-8-24/h1-2,9-12,15,20,24H,3-8H2
InChIKeyLHZMMTORXRYZKZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.80
Rot. Bonds4

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

2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 118060524) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID118060524
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C18H21FN4O/c19-14-1-2-16-17(11-20-18(16)9-14)13-10-21-23(12-13)15-3-5-22(6-4-15)7-8-24/h1-2,9-12,15,20,24H,3-8H2
InChIKeyLHZMMTORXRYZKZ-UHFFFAOYSA-N
XLogP2.80
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.80
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]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol (CID 118060524) is 2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol is OCCN1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is LHZMMTORXRYZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-1-2-16-17(11-20-18(16)9-14)13-10-21-23(12-13)15-3-5-22(6-4-15)7-8-24/h1-2,9-12,15,20,24H,3-8H2.
What are the key properties of 2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 328.39 g/mol, XLogP of 2.80, 4 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]piperidin-1-yl]ethanol is sourced from PubChem (CID 118060524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).