2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine

C16H26ClN3O — CID 62574531

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3O/c1-2-21-14-8-18-7-9-19-10-12-20(13-11-19)16-6-4-3-5-15(16)17/h3-6,18H,2,7-14H2,1H3
InChIKeyZRXOLJQXSJQUBX-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.09
Rot. Bonds8

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine (PubChem CID 62574531) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine
PubChem CID62574531
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3O/c1-2-21-14-8-18-7-9-19-10-12-20(13-11-19)16-6-4-3-5-15(16)17/h3-6,18H,2,7-14H2,1H3
InChIKeyZRXOLJQXSJQUBX-UHFFFAOYSA-N
XLogP2.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667
4-(2-chlorophenyl)-N-(2-ethoxyethyl)-N'-methylpiperazine-1-carboximidamide
CID 111177618
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62574171
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
CID 43384244
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine
CID 62599266
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62573733
2-(4,4-diethylpiperidin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 63163215
3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 62419647
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine (CID 62574531) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine is CCOCCNCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine?
The InChIKey is ZRXOLJQXSJQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-2-21-14-8-18-7-9-19-10-12-20(13-11-19)16-6-4-3-5-15(16)17/h3-6,18H,2,7-14H2,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine has a molecular weight of 311.86 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 62574531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).