6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole

C16H21BrN2 — CID 107914208

IUPAC6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
SMILESCN1CCCCC1CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C16H21BrN2/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-5-6-14(17)12-16(13)19/h5-7,10,12,15H,2-4,8-9,11H2,1H3
InChIKeyYSMHMXVTHRMEKR-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.28
Rot. Bonds3

About 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole

6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole (PubChem CID 107914208) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole.

Molecular Properties

Compound Name6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
PubChem CID107914208
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
SMILESCN1CCCCC1CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C16H21BrN2/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-5-6-14(17)12-16(13)19/h5-7,10,12,15H,2-4,8-9,11H2,1H3
InChIKeyYSMHMXVTHRMEKR-UHFFFAOYSA-N
XLogP4.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
The IUPAC name of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole (CID 107914208) is 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole.
What is the SMILES notation for 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
The canonical SMILES for 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole is CN1CCCCC1CCn1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
The InChIKey is YSMHMXVTHRMEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-5-6-14(17)12-16(13)19/h5-7,10,12,15H,2-4,8-9,11H2,1H3.
What are the key properties of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole has a molecular weight of 321.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole is sourced from PubChem (CID 107914208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).