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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Related Compounds

6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole
CID 58512228
3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole
CID 170254751
4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426436
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride
CID 23142987
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
CID 11702233
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
CID 14947118
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
2-[2-[4-[1-[2-(1,3-dioxolan-2-yl)ethyl]-6-fluoroindol-3-yl]piperidin-1-yl]ethoxy]propane-1,2,3-triol
CID 18440754
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 139829310

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).