7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole

C15H19FN2 — CID 84632385

IUPAC7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
SMILESCc1c(C2CCCNC2)n(C)c2c(F)cccc12
InChIInChI=1S/C15H19FN2/c1-10-12-6-3-7-13(16)15(12)18(2)14(10)11-5-4-8-17-9-11/h3,6-7,11,17H,4-5,8-9H2,1-2H3
InChIKeyJHXRUKQSVCLYDK-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.09
Rot. Bonds1

About 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole

7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole (PubChem CID 84632385) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole.

Molecular Properties

Compound Name7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
PubChem CID84632385
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
SMILESCc1c(C2CCCNC2)n(C)c2c(F)cccc12
InChIInChI=1S/C15H19FN2/c1-10-12-6-3-7-13(16)15(12)18(2)14(10)11-5-4-8-17-9-11/h3,6-7,11,17H,4-5,8-9H2,1-2H3
InChIKeyJHXRUKQSVCLYDK-UHFFFAOYSA-N
XLogP3.09
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1,3,7-trimethyl-2-piperidin-4-ylindole
CID 84630479
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine
CID 84611529
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
CID 91174939
5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
CID 84633326
8-fluoro-4-piperidin-3-ylquinazoline
CID 105489373
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
CID 84638279
1-methyl-3-piperidin-3-ylindazol-7-amine
CID 175889087
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84622862

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole?
The IUPAC name of 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole (CID 84632385) is 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole.
What is the SMILES notation for 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole?
The canonical SMILES for 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole is Cc1c(C2CCCNC2)n(C)c2c(F)cccc12.
What is the InChIKey of 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole?
The InChIKey is JHXRUKQSVCLYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-12-6-3-7-13(16)15(12)18(2)14(10)11-5-4-8-17-9-11/h3,6-7,11,17H,4-5,8-9H2,1-2H3.
What are the key properties of 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole?
7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole has a molecular weight of 246.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole is sourced from PubChem (CID 84632385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).