1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine

C13H22N2O — CID 175756683

IUPAC1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine
SMILESCN1CCN(CCOC2C=CC=CC2)CC1
InChIInChI=1S/C13H22N2O/c1-14-7-9-15(10-8-14)11-12-16-13-5-3-2-4-6-13/h2-5,13H,6-12H2,1H3
InChIKeyLWVHOBFCFYDIEI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.14
Rot. Bonds4

About 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine

1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine (PubChem CID 175756683) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine
PubChem CID175756683
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine
SMILESCN1CCN(CCOC2C=CC=CC2)CC1
InChIInChI=1S/C13H22N2O/c1-14-7-9-15(10-8-14)11-12-16-13-5-3-2-4-6-13/h2-5,13H,6-12H2,1H3
InChIKeyLWVHOBFCFYDIEI-UHFFFAOYSA-N
XLogP1.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
2-Ethyl-4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 58787092
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
4-Propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 89973809
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
1-(2-Octa-4,6-dien-3-yloxyethyl)piperazine
CID 123147935
[4-[2-(4-Methylpiperazin-1-yl)ethoxy]cyclohexa-1,5-dien-1-yl]methanol
CID 123477859
1-(3-Methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine
CID 123521469
4-Methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 123902068
1-(2-Methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
CID 134579878
4-Ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 137444009

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine (CID 175756683) is 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine is CN1CCN(CCOC2C=CC=CC2)CC1.
What is the InChIKey of 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine?
The InChIKey is LWVHOBFCFYDIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-7-9-15(10-8-14)11-12-16-13-5-3-2-4-6-13/h2-5,13H,6-12H2,1H3.
What are the key properties of 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine?
1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine has a molecular weight of 222.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-2,4-dien-1-yloxyethyl)-4-methylpiperazine is sourced from PubChem (CID 175756683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).