1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine

C16H22BrN3 — CID 115304190

IUPAC1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H22BrN3/c1-16(18-2)5-7-20(8-6-16)11-12-10-19-15-4-3-13(17)9-14(12)15/h3-4,9-10,18-19H,5-8,11H2,1-2H3
InChIKeyAUZMRCNNVWUBHL-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.50
Rot. Bonds3

About 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304190) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304190
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H22BrN3/c1-16(18-2)5-7-20(8-6-16)11-12-10-19-15-4-3-13(17)9-14(12)15/h3-4,9-10,18-19H,5-8,11H2,1-2H3
InChIKeyAUZMRCNNVWUBHL-UHFFFAOYSA-N
XLogP3.50
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115304190) is 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2c[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is AUZMRCNNVWUBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-16(18-2)5-7-20(8-6-16)11-12-10-19-15-4-3-13(17)9-14(12)15/h3-4,9-10,18-19H,5-8,11H2,1-2H3.
What are the key properties of 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 336.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).