4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline

C16H27N3O — CID 63233491

IUPAC4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
SMILESCOc1ccc(N)cc1CN(C)CC1CCN(C)CC1
InChIInChI=1S/C16H27N3O/c1-18-8-6-13(7-9-18)11-19(2)12-14-10-15(17)4-5-16(14)20-3/h4-5,10,13H,6-9,11-12,17H2,1-3H3
InChIKeyHHJOBZWHPUOCCW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.05
Rot. Bonds5

About 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline

4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline (PubChem CID 63233491) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
PubChem CID63233491
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
SMILESCOc1ccc(N)cc1CN(C)CC1CCN(C)CC1
InChIInChI=1S/C16H27N3O/c1-18-8-6-13(7-9-18)11-19(2)12-14-10-15(17)4-5-16(14)20-3/h4-5,10,13H,6-9,11-12,17H2,1-3H3
InChIKeyHHJOBZWHPUOCCW-UHFFFAOYSA-N
XLogP2.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline 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

3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
CID 63273928
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62861744
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline?
The IUPAC name of 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline (CID 63233491) is 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline is COc1ccc(N)cc1CN(C)CC1CCN(C)CC1.
What is the InChIKey of 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline?
The InChIKey is HHJOBZWHPUOCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18-8-6-13(7-9-18)11-19(2)12-14-10-15(17)4-5-16(14)20-3/h4-5,10,13H,6-9,11-12,17H2,1-3H3.
What are the key properties of 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline?
4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline has a molecular weight of 277.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 63233491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).