1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

C17H28N2O2 — CID 63973650

IUPAC1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCCOc1ccc(C(N)CN2CCC(COC)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-21-16-6-4-15(5-7-16)17(18)12-19-10-8-14(9-11-19)13-20-2/h4-7,14,17H,3,8-13,18H2,1-2H3
InChIKeyJLYOVEUZOJLQDD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.44
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 63973650) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID63973650
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCCOc1ccc(C(N)CN2CCC(COC)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-21-16-6-4-15(5-7-16)17(18)12-19-10-8-14(9-11-19)13-20-2/h4-7,14,17H,3,8-13,18H2,1-2H3
InChIKeyJLYOVEUZOJLQDD-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
1-(3,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973652
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16787975
1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16793434
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
2-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107520014
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
2-(4-ethylpiperidin-1-yl)-1-(4-propylphenyl)ethanamine
CID 61421149
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
4-[1-hydroxy-2-[4-(methoxymethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63971727

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (CID 63973650) is 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is CCOc1ccc(C(N)CN2CCC(COC)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is JLYOVEUZOJLQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-21-16-6-4-15(5-7-16)17(18)12-19-10-8-14(9-11-19)13-20-2/h4-7,14,17H,3,8-13,18H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63973650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).