6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole

C17H25FN2 — CID 144855194

IUPAC6-fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole
SMILESCCCN1CCC(CC1)C2=CNC3=CC(CC=C32)(C)F
InChIInChI=1S/C17H25FN2/c1-3-8-20-9-5-13(6-10-20)15-12-19-16-11-17(2,18)7-4-14(15)16/h4,11-13,19H,3,5-10H2,1-2H3
InChIKeyTYXYHOJOIXBHPQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.70
Rot. Bonds3

About 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole

6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole (PubChem CID 144855194) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 6-fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole.

Molecular Properties

Compound Name6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole
PubChem CID144855194
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name6-fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole
SMILESCCCN1CCC(CC1)C2=CNC3=CC(CC=C32)(C)F
InChIInChI=1S/C17H25FN2/c1-3-8-20-9-5-13(6-10-20)15-12-19-16-11-17(2,18)7-4-14(15)16/h4,11-13,19H,3,5-10H2,1-2H3
InChIKeyTYXYHOJOIXBHPQ-UHFFFAOYSA-N
XLogP2.70
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity469

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(Cyclohexylmethyl)-5-fluorospiro[1,2,6,7-tetrahydroindole-3,4'-piperidine]
CID 68234249
2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
CID 69107961
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
CID 70921115
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 123144780
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
CID 123278977
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
CID 123995432
1-[(3Z,5E)-7,7,7-trifluoro-6-methyl-3-piperidin-4-ylhepta-1,3,5-trien-2-yl]piperidine
CID 126750716
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
CID 141139585

Frequently Asked Questions

What is the IUPAC name of 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole?
The IUPAC name of 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole (CID 144855194) is 6-fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole.
What is the SMILES notation for 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole?
The canonical SMILES for 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole is CCCN1CCC(CC1)C2=CNC3=CC(CC=C32)(C)F.
What is the InChIKey of 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole?
The InChIKey is TYXYHOJOIXBHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-3-8-20-9-5-13(6-10-20)15-12-19-16-11-17(2,18)7-4-14(15)16/h4,11-13,19H,3,5-10H2,1-2H3.
What are the key properties of 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole?
6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole has a molecular weight of 276.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole is sourced from PubChem (CID 144855194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).