4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol

C14H21BrN2O2 — CID 79986347

IUPAC4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(CN2CC(C)CC(N)C2)cc(Br)c1O
InChIInChI=1S/C14H21BrN2O2/c1-9-3-11(16)8-17(6-9)7-10-4-12(15)14(18)13(5-10)19-2/h4-5,9,11,18H,3,6-8,16H2,1-2H3
InChIKeyLQHCBIJSKJOFJM-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.33
Rot. Bonds3

About 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol

4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol (PubChem CID 79986347) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol
PubChem CID79986347
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(CN2CC(C)CC(N)C2)cc(Br)c1O
InChIInChI=1S/C14H21BrN2O2/c1-9-3-11(16)8-17(6-9)7-10-4-12(15)14(18)13(5-10)19-2/h4-5,9,11,18H,3,6-8,16H2,1-2H3
InChIKeyLQHCBIJSKJOFJM-UHFFFAOYSA-N
XLogP2.33
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983263
4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-bromo-6-methoxyphenol
CID 114960179
2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
CID 79986823
2-bromo-4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 30842642
2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
CID 102677741
1-[(3-bromo-4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83230226
2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263660
[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 651427
(3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 783278
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 65056254
2-bromo-4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 110022595
5-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 79986953

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol?
The IUPAC name of 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol (CID 79986347) is 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol is COc1cc(CN2CC(C)CC(N)C2)cc(Br)c1O.
What is the InChIKey of 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol?
The InChIKey is LQHCBIJSKJOFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9-3-11(16)8-17(6-9)7-10-4-12(15)14(18)13(5-10)19-2/h4-5,9,11,18H,3,6-8,16H2,1-2H3.
What are the key properties of 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol?
4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol has a molecular weight of 329.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-bromo-6-methoxyphenol is sourced from PubChem (CID 79986347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).