2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol

C17H28N2O2 — CID 82958395

IUPAC2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
SMILESCCOc1cccc(CN(C)C2CCN(CC)CC2)c1O
InChIInChI=1S/C17H28N2O2/c1-4-19-11-9-15(10-12-19)18(3)13-14-7-6-8-16(17(14)20)21-5-2/h6-8,15,20H,4-5,9-13H2,1-3H3
InChIKeyCJHYTYAUQICRPU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.71
Rot. Bonds6

About 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol

2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol (PubChem CID 82958395) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
PubChem CID82958395
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
SMILESCCOc1cccc(CN(C)C2CCN(CC)CC2)c1O
InChIInChI=1S/C17H28N2O2/c1-4-19-11-9-15(10-12-19)18(3)13-14-7-6-8-16(17(14)20)21-5-2/h6-8,15,20H,4-5,9-13H2,1-3H3
InChIKeyCJHYTYAUQICRPU-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057874
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-6-methoxyphenol
CID 82983855
2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 25383853
2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol
CID 79122393
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82974899

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol (CID 82958395) is 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol is CCOc1cccc(CN(C)C2CCN(CC)CC2)c1O.
What is the InChIKey of 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
The InChIKey is CJHYTYAUQICRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-19-11-9-15(10-12-19)18(3)13-14-7-6-8-16(17(14)20)21-5-2/h6-8,15,20H,4-5,9-13H2,1-3H3.
What are the key properties of 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol?
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol is sourced from PubChem (CID 82958395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).