6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole

C17H23FN2 — CID 71457837

IUPAC6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
SMILESCCCN1CCC(c2cn(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C17H23FN2/c1-3-8-20-9-6-13(7-10-20)16-12-19(2)17-11-14(18)4-5-15(16)17/h4-5,11-13H,3,6-10H2,1-2H3
InChIKeySKSNWJPZQYVOQU-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.91
Rot. Bonds3

About 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole

6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole (PubChem CID 71457837) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
PubChem CID71457837
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
SMILESCCCN1CCC(c2cn(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C17H23FN2/c1-3-8-20-9-6-13(7-10-20)16-12-19(2)17-11-14(18)4-5-15(16)17/h4-5,11-13H,3,6-10H2,1-2H3
InChIKeySKSNWJPZQYVOQU-UHFFFAOYSA-N
XLogP3.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole?
The IUPAC name of 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole (CID 71457837) is 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole.
What is the SMILES notation for 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole?
The canonical SMILES for 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole is CCCN1CCC(c2cn(C)c3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole?
The InChIKey is SKSNWJPZQYVOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-3-8-20-9-6-13(7-10-20)16-12-19(2)17-11-14(18)4-5-15(16)17/h4-5,11-13H,3,6-10H2,1-2H3.
What are the key properties of 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole?
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole has a molecular weight of 274.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole is sourced from PubChem (CID 71457837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).