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

C15H19FN2 — CID 84632388

IUPAC7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
SMILESCc1[nH]c2c(F)cccc2c1CC1CCCCN1
InChIInChI=1S/C15H19FN2/c1-10-13(9-11-5-2-3-8-17-11)12-6-4-7-14(16)15(12)18-10/h4,6-7,11,17-18H,2-3,5,8-9H2,1H3
InChIKeyHWFNWPALPWFKSM-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.30
Rot. Bonds2

About 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole

7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole (PubChem CID 84632388) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
PubChem CID84632388
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
SMILESCc1[nH]c2c(F)cccc2c1CC1CCCCN1
InChIInChI=1S/C15H19FN2/c1-10-13(9-11-5-2-3-8-17-11)12-6-4-7-14(16)15(12)18-10/h4,6-7,11,17-18H,2-3,5,8-9H2,1H3
InChIKeyHWFNWPALPWFKSM-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

6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632406
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
CID 84638279
(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 65335308
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
CID 84630578
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole
CID 84696786
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The IUPAC name of 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole (CID 84632388) is 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The canonical SMILES for 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole is Cc1[nH]c2c(F)cccc2c1CC1CCCCN1.
What is the InChIKey of 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The InChIKey is HWFNWPALPWFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-13(9-11-5-2-3-8-17-11)12-6-4-7-14(16)15(12)18-10/h4,6-7,11,17-18H,2-3,5,8-9H2,1H3.
What are the key properties of 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
7-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 7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 84632388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).