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

C15H19FN2 — CID 117368408

IUPAC5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole
SMILESCc1cc2cc(F)c(CC3CCCCN3)cc2[nH]1
InChIInChI=1S/C15H19FN2/c1-10-6-12-8-14(16)11(9-15(12)18-10)7-13-4-2-3-5-17-13/h6,8-9,13,17-18H,2-5,7H2,1H3
InChIKeyDXUKPAGKGIZJHD-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.30
Rot. Bonds2

About 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole

5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole (PubChem CID 117368408) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole
PubChem CID117368408
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole
SMILESCc1cc2cc(F)c(CC3CCCCN3)cc2[nH]1
InChIInChI=1S/C15H19FN2/c1-10-6-12-8-14(16)11(9-15(12)18-10)7-13-4-2-3-5-17-13/h6,8-9,13,17-18H,2-5,7H2,1H3
InChIKeyDXUKPAGKGIZJHD-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

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Related Compounds

2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632406
2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117386486

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole?
The IUPAC name of 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole (CID 117368408) is 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole?
The canonical SMILES for 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole is Cc1cc2cc(F)c(CC3CCCCN3)cc2[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole?
The InChIKey is DXUKPAGKGIZJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-6-12-8-14(16)11(9-15(12)18-10)7-13-4-2-3-5-17-13/h6,8-9,13,17-18H,2-5,7H2,1H3.
What are the key properties of 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole?
5-fluoro-2-methyl-6-(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 5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 117368408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).