1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine

C16H28N2O2 — CID 134579878

IUPAC1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
SMILESCOCCN1CCN(CCOC2C=CC(C)=CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-15-3-5-16(6-4-15)20-14-12-18-9-7-17(8-10-18)11-13-19-2/h3-5,16H,6-14H2,1-2H3
InChIKeyUQMRJHUWHXTFIQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.54
Rot. Bonds7

About 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine

1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine (PubChem CID 134579878) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
PubChem CID134579878
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
SMILESCOCCN1CCN(CCOC2C=CC(C)=CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-15-3-5-16(6-4-15)20-14-12-18-9-7-17(8-10-18)11-13-19-2/h3-5,16H,6-14H2,1-2H3
InChIKeyUQMRJHUWHXTFIQ-UHFFFAOYSA-N
XLogP1.54
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
4-[2-[4-(Difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
CID 163636515
1-Methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
CID 71170408
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
[4-[2-(4-Methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
CID 123477859
4-(2-Ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
CID 123822583
4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
CID 138636356
1-[2-(2-Methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine
CID 141085631
2-Cyclohepta-1,3,6-trien-1-yl-4-methylmorpholine
CID 141816694
CID 142057029
CID 142057029
4-[2-[(2Z,4Z)-4-methylhepta-2,4,6-trienoxy]ethyl]morpholine
CID 142845362

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine (CID 134579878) is 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine is COCCN1CCN(CCOC2C=CC(C)=CC2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine?
The InChIKey is UQMRJHUWHXTFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15-3-5-16(6-4-15)20-14-12-18-9-7-17(8-10-18)11-13-19-2/h3-5,16H,6-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine?
1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine has a molecular weight of 280.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine is sourced from PubChem (CID 134579878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).