3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole

C13H14BrFN2 — CID 84644364

IUPAC3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
SMILESFc1cccc2c(Br)c(C3CCCNC3)[nH]c12
InChIInChI=1S/C13H14BrFN2/c14-11-9-4-1-5-10(15)13(9)17-12(11)8-3-2-6-16-7-8/h1,4-5,8,16-17H,2-3,6-7H2
InChIKeyZMDSFZJYFRBBAD-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.54
Rot. Bonds1

About 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole

3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole (PubChem CID 84644364) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
PubChem CID84644364
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
SMILESFc1cccc2c(Br)c(C3CCCNC3)[nH]c12
InChIInChI=1S/C13H14BrFN2/c14-11-9-4-1-5-10(15)13(9)17-12(11)8-3-2-6-16-7-8/h1,4-5,8,16-17H,2-3,6-7H2
InChIKeyZMDSFZJYFRBBAD-UHFFFAOYSA-N
XLogP3.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-7-chloro-2-piperidin-3-yl-1H-indole
CID 84645512
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
3-(1-bromonaphthalen-2-yl)piperidine
CID 165357301
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
CID 84632385
8-fluoro-4-piperidin-3-ylquinazoline
CID 105489373
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole
CID 84644943
3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
CID 84645185
3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine
CID 84611529
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole?
The IUPAC name of 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole (CID 84644364) is 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole is Fc1cccc2c(Br)c(C3CCCNC3)[nH]c12.
What is the InChIKey of 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole?
The InChIKey is ZMDSFZJYFRBBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c14-11-9-4-1-5-10(15)13(9)17-12(11)8-3-2-6-16-7-8/h1,4-5,8,16-17H,2-3,6-7H2.
What are the key properties of 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole?
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole has a molecular weight of 297.17 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 84644364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).