6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole

C18H18FN3O — CID 118292975

IUPAC6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole
SMILESFc1ccc2c(-c3ccc(OC4CCNCC4)nc3)c[nH]c2c1
InChIInChI=1S/C18H18FN3O/c19-13-2-3-15-16(11-21-17(15)9-13)12-1-4-18(22-10-12)23-14-5-7-20-8-6-14/h1-4,9-11,14,20-21H,5-8H2
InChIKeyBHLNCSQMPNPWHT-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.50
Rot. Bonds3

About 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole

6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole (PubChem CID 118292975) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole
PubChem CID118292975
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole
SMILESFc1ccc2c(-c3ccc(OC4CCNCC4)nc3)c[nH]c2c1
InChIInChI=1S/C18H18FN3O/c19-13-2-3-15-16(11-21-17(15)9-13)12-1-4-18(22-10-12)23-14-5-7-20-8-6-14/h1-4,9-11,14,20-21H,5-8H2
InChIKeyBHLNCSQMPNPWHT-UHFFFAOYSA-N
XLogP3.50
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole?
The IUPAC name of 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole (CID 118292975) is 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole is Fc1ccc2c(-c3ccc(OC4CCNCC4)nc3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole?
The InChIKey is BHLNCSQMPNPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-13-2-3-15-16(11-21-17(15)9-13)12-1-4-18(22-10-12)23-14-5-7-20-8-6-14/h1-4,9-11,14,20-21H,5-8H2.
What are the key properties of 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole?
6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole has a molecular weight of 311.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(6-piperidin-4-yloxy-3-pyridinyl)-1H-indole is sourced from PubChem (CID 118292975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).