[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine

C16H25BrN2O2 — CID 114959871

IUPAC[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCOc1cc(Br)c(CN2CCC(C)C(CN)C2)cc1OC
InChIInChI=1S/C16H25BrN2O2/c1-11-4-5-19(10-13(11)8-18)9-12-6-15(20-2)16(21-3)7-14(12)17/h6-7,11,13H,4-5,8-10,18H2,1-3H3
InChIKeyCNHIQRJMTOMESX-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.88
Rot. Bonds5

About [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine

[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114959871) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114959871
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCOc1cc(Br)c(CN2CCC(C)C(CN)C2)cc1OC
InChIInChI=1S/C16H25BrN2O2/c1-11-4-5-19(10-13(11)8-18)9-12-6-15(20-2)16(21-3)7-14(12)17/h6-7,11,13H,4-5,8-10,18H2,1-3H3
InChIKeyCNHIQRJMTOMESX-UHFFFAOYSA-N
XLogP2.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine 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

4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-bromo-6-methoxyphenol
CID 114960179
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927353
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
5-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60917244
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845354
[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
CID 114961207
4-bromo-2-methoxy-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
CID 120967778

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (CID 114959871) is [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is COc1cc(Br)c(CN2CCC(C)C(CN)C2)cc1OC.
What is the InChIKey of [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is CNHIQRJMTOMESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-11-4-5-19(10-13(11)8-18)9-12-6-15(20-2)16(21-3)7-14(12)17/h6-7,11,13H,4-5,8-10,18H2,1-3H3.
What are the key properties of [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 357.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114959871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).