3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine

C19H33N3O3 — CID 54855920

IUPAC3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine
SMILESCCOCCOc1c(CN2CCN(CCCN)CC2)cccc1OC
InChIInChI=1S/C19H33N3O3/c1-3-24-14-15-25-19-17(6-4-7-18(19)23-2)16-22-12-10-21(11-13-22)9-5-8-20/h4,6-7H,3,5,8-16,20H2,1-2H3
InChIKeySQXYUIKHFWXTDT-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.58
Rot. Bonds11

About 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine

3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine (PubChem CID 54855920) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine
PubChem CID54855920
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine
SMILESCCOCCOc1c(CN2CCN(CCCN)CC2)cccc1OC
InChIInChI=1S/C19H33N3O3/c1-3-24-14-15-25-19-17(6-4-7-18(19)23-2)16-22-12-10-21(11-13-22)9-5-8-20/h4,6-7H,3,5,8-16,20H2,1-2H3
InChIKeySQXYUIKHFWXTDT-UHFFFAOYSA-N
XLogP1.58
TPSA60.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112
3-[4-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]piperazin-1-yl]propan-1-amine
CID 54855901
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856258
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
3-[4-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856274
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
3-[4-[[3-methoxy-2-(2-phenylethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856251
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine (CID 54855920) is 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine is CCOCCOc1c(CN2CCN(CCCN)CC2)cccc1OC.
What is the InChIKey of 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is SQXYUIKHFWXTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-3-24-14-15-25-19-17(6-4-7-18(19)23-2)16-22-12-10-21(11-13-22)9-5-8-20/h4,6-7H,3,5,8-16,20H2,1-2H3.
What are the key properties of 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine?
3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 351.49 g/mol, XLogP of 1.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 54855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).