5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole

C14H17BrN2 — CID 15745344

IUPAC5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H17BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7H2,1H3
InChIKeyOWTKCABHRSIAJY-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.74
Rot. Bonds1

About 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole

5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole (PubChem CID 15745344) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
PubChem CID15745344
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H17BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7H2,1H3
InChIKeyOWTKCABHRSIAJY-UHFFFAOYSA-N
XLogP3.74
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275
5-bromo-3-cyclopropyl-1H-indole
CID 103863095
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
5-bromo-3-(1-methylpiperidin-4-yl)sulfanyl-1H-indole
CID 19936616
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
CID 67754574
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15871195
(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 1238850

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole (CID 15745344) is 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole is CN1CCC(c2c[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole?
The InChIKey is OWTKCABHRSIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7H2,1H3.
What are the key properties of 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole?
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole has a molecular weight of 293.21 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 15745344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).