2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol

C17H28N2O2 — CID 82961939

IUPAC2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
SMILESCCOc1cc(CN(C)CC2CCN(C)CC2)ccc1O
InChIInChI=1S/C17H28N2O2/c1-4-21-17-11-15(5-6-16(17)20)13-19(3)12-14-7-9-18(2)10-8-14/h5-6,11,14,20H,4,7-10,12-13H2,1-3H3
InChIKeyIXDGURMGBZPCMD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.56
Rot. Bonds6

About 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol

2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol (PubChem CID 82961939) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
PubChem CID82961939
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
SMILESCCOc1cc(CN(C)CC2CCN(C)CC2)ccc1O
InChIInChI=1S/C17H28N2O2/c1-4-21-17-11-15(5-6-16(17)20)13-19(3)12-14-7-9-18(2)10-8-14/h5-6,11,14,20H,4,7-10,12-13H2,1-3H3
InChIKeyIXDGURMGBZPCMD-UHFFFAOYSA-N
XLogP2.56
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol 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-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982737
4-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 26406188
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 65338284
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol (CID 82961939) is 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol is CCOc1cc(CN(C)CC2CCN(C)CC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
The InChIKey is IXDGURMGBZPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-21-17-11-15(5-6-16(17)20)13-19(3)12-14-7-9-18(2)10-8-14/h5-6,11,14,20H,4,7-10,12-13H2,1-3H3.
What are the key properties of 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol?
2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 82961939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).