1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine

C16H34N2O2 — CID 64840397

IUPAC1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCOCCOCCN1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C16H34N2O2/c1-13(2)10-15-11-17-16(14(3)4)12-18(15)6-7-20-9-8-19-5/h13-17H,6-12H2,1-5H3
InChIKeyQRJQQPCOQNQHIC-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.99
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine

1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine (PubChem CID 64840397) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
PubChem CID64840397
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCOCCOCCN1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C16H34N2O2/c1-13(2)10-15-11-17-16(14(3)4)12-18(15)6-7-20-9-8-19-5/h13-17H,6-12H2,1-5H3
InChIKeyQRJQQPCOQNQHIC-UHFFFAOYSA-N
XLogP1.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.99
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

1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838649
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 104567944
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 64845397
1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 114014084
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-2-propylpiperazine
CID 104567840
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine (CID 64840397) is 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine is COCCOCCN1CC(C(C)C)NCC1CC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The InChIKey is QRJQQPCOQNQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-13(2)10-15-11-17-16(14(3)4)12-18(15)6-7-20-9-8-19-5/h13-17H,6-12H2,1-5H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64840397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).