2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine

C16H27N3O — CID 63605407

IUPAC2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(CN)N2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H27N3O/c1-4-20-15-7-5-6-14(10-15)16(11-17)19-9-8-18(3)13(2)12-19/h5-7,10,13,16H,4,8-9,11-12,17H2,1-3H3
InChIKeyCLISISWHCZULHJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.72
Rot. Bonds5

About 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine

2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine (PubChem CID 63605407) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
PubChem CID63605407
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(CN)N2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H27N3O/c1-4-20-15-7-5-6-14(10-15)16(11-17)19-9-8-18(3)13(2)12-19/h5-7,10,13,16H,4,8-9,11-12,17H2,1-3H3
InChIKeyCLISISWHCZULHJ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605224
2-(3-ethoxyphenyl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419864
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine
CID 64576464
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine (CID 63605407) is 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine is CCOc1cccc(C(CN)N2CCN(C)C(C)C2)c1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine?
The InChIKey is CLISISWHCZULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-15-7-5-6-14(10-15)16(11-17)19-9-8-18(3)13(2)12-19/h5-7,10,13,16H,4,8-9,11-12,17H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine?
2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 63605407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).