1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine

C16H22BrN3 — CID 63250772

IUPAC1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H22BrN3/c1-18-9-12-4-6-20(7-5-12)11-13-10-19-16-3-2-14(17)8-15(13)16/h2-3,8,10,12,18-19H,4-7,9,11H2,1H3
InChIKeyVYWAWIBPZYGDGJ-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.36
Rot. Bonds4

About 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 63250772) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID63250772
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H22BrN3/c1-18-9-12-4-6-20(7-5-12)11-13-10-19-16-3-2-14(17)8-15(13)16/h2-3,8,10,12,18-19H,4-7,9,11H2,1H3
InChIKeyVYWAWIBPZYGDGJ-UHFFFAOYSA-N
XLogP3.36
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304190
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine
CID 114397775
6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119544979
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 120838975

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 63250772) is 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is VYWAWIBPZYGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-18-9-12-4-6-20(7-5-12)11-13-10-19-16-3-2-14(17)8-15(13)16/h2-3,8,10,12,18-19H,4-7,9,11H2,1H3.
What are the key properties of 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63250772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).