6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole

C15H19FN2 — CID 84632406

IUPAC6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
SMILESCc1[nH]c2cc(F)ccc2c1CC1CCCCN1
InChIInChI=1S/C15H19FN2/c1-10-14(9-12-4-2-3-7-17-12)13-6-5-11(16)8-15(13)18-10/h5-6,8,12,17-18H,2-4,7,9H2,1H3
InChIKeyWXFZJHBMRAJDRH-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.30
Rot. Bonds2

About 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole

6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole (PubChem CID 84632406) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
PubChem CID84632406
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
SMILESCc1[nH]c2cc(F)ccc2c1CC1CCCCN1
InChIInChI=1S/C15H19FN2/c1-10-14(9-12-4-2-3-7-17-12)13-6-5-11(16)8-15(13)18-10/h5-6,8,12,17-18H,2-4,7,9H2,1H3
InChIKeyWXFZJHBMRAJDRH-UHFFFAOYSA-N
XLogP3.30
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84632825
7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632388
6-fluoro-3-methyl-2-piperidin-2-yl-1H-indole
CID 84627006
2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
CID 84638269
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
CID 145138522
2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine
CID 117380799

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The IUPAC name of 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole (CID 84632406) is 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The canonical SMILES for 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole is Cc1[nH]c2cc(F)ccc2c1CC1CCCCN1.
What is the InChIKey of 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The InChIKey is WXFZJHBMRAJDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-14(9-12-4-2-3-7-17-12)13-6-5-11(16)8-15(13)18-10/h5-6,8,12,17-18H,2-4,7,9H2,1H3.
What are the key properties of 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole has a molecular weight of 246.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 84632406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).