7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole

C16H21FN2 — CID 84638279

IUPAC7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
SMILESCc1c(CC2CCCCN2)c2cccc(F)c2n1C
InChIInChI=1S/C16H21FN2/c1-11-14(10-12-6-3-4-9-18-12)13-7-5-8-15(17)16(13)19(11)2/h5,7-8,12,18H,3-4,6,9-10H2,1-2H3
InChIKeyQBCDPLFCTKWLKY-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.31
Rot. Bonds2

About 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole

7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole (PubChem CID 84638279) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole.

Molecular Properties

Compound Name7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
PubChem CID84638279
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
SMILESCc1c(CC2CCCCN2)c2cccc(F)c2n1C
InChIInChI=1S/C16H21FN2/c1-11-14(10-12-6-3-4-9-18-12)13-7-5-8-15(17)16(13)19(11)2/h5,7-8,12,18H,3-4,6,9-10H2,1-2H3
InChIKeyQBCDPLFCTKWLKY-UHFFFAOYSA-N
XLogP3.31
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.31
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

7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632388
2-methyl-3-(pyrrolidin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84635427
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
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
N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82498818
1-methyl-7-(pyrrolidin-2-ylmethyl)indole
CID 82613446
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole?
The IUPAC name of 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole (CID 84638279) is 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole.
What is the SMILES notation for 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole?
The canonical SMILES for 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole is Cc1c(CC2CCCCN2)c2cccc(F)c2n1C.
What is the InChIKey of 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole?
The InChIKey is QBCDPLFCTKWLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-11-14(10-12-6-3-4-9-18-12)13-7-5-8-15(17)16(13)19(11)2/h5,7-8,12,18H,3-4,6,9-10H2,1-2H3.
What are the key properties of 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole?
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole has a molecular weight of 260.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole is sourced from PubChem (CID 84638279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).