(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone

C16H18BrFN2O2 — CID 136547926

IUPAC(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
SMILESCC1C(CO)CCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C16H18BrFN2O2/c1-9-10(8-21)3-2-4-20(9)16(22)15-7-12-13(18)5-11(17)6-14(12)19-15/h5-7,9-10,19,21H,2-4,8H2,1H3
InChIKeyLDFSKFOJLGRKHU-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.30
Rot. Bonds2

About (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone

(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone (PubChem CID 136547926) has the molecular formula C16H18BrFN2O2 and a molecular weight of 369.23 g/mol. Its IUPAC name is (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
PubChem CID136547926
Molecular FormulaC16H18BrFN2O2
Molecular Weight369.23 g/mol
Exact Mass368.05
IUPAC Name(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
SMILESCC1C(CO)CCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C16H18BrFN2O2/c1-9-10(8-21)3-2-4-20(9)16(22)15-7-12-13(18)5-11(17)6-14(12)19-15/h5-7,9-10,19,21H,2-4,8H2,1H3
InChIKeyLDFSKFOJLGRKHU-UHFFFAOYSA-N
XLogP3.30
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 125132752
1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882605
6-bromo-4-fluoro-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-indole-2-carboxamide
CID 86935325
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002452
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 139004982
(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 91642214
1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259214
(2R,3R)-1-(4,5-dimethyl-1H-indole-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116544
(5-fluoro-1H-indol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698506
2-(4,6-difluoro-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 175447390
3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid
CID 124701352
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 95580375

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone (CID 136547926) is (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone is CC1C(CO)CCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1.
What is the InChIKey of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The InChIKey is LDFSKFOJLGRKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O2/c1-9-10(8-21)3-2-4-20(9)16(22)15-7-12-13(18)5-11(17)6-14(12)19-15/h5-7,9-10,19,21H,2-4,8H2,1H3.
What are the key properties of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone has a molecular weight of 369.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 136547926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).