1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine

C13H22N2O — CID 142040641

IUPAC1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCCOC1=C(N2CCN(C)CC2)CCC=C1
InChIInChI=1S/C13H22N2O/c1-3-16-13-7-5-4-6-12(13)15-10-8-14(2)9-11-15/h5,7H,3-4,6,8-11H2,1-2H3
InChIKeyIENFYXIGXRWLQX-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine

1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine (PubChem CID 142040641) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
PubChem CID142040641
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCCOC1=C(N2CCN(C)CC2)CCC=C1
InChIInChI=1S/C13H22N2O/c1-3-16-13-7-5-4-6-12(13)15-10-8-14(2)9-11-15/h5,7H,3-4,6,8-11H2,1-2H3
InChIKeyIENFYXIGXRWLQX-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
1-(3-Methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine
CID 123521469
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)-4-methylpiperazine
CID 141952227
But-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256401
1-(3-Methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256402
4-Propyl-2,3,5,6-tetrahydro-1,4-benzoxazine
CID 142262038
N'-cyclohexa-1,3-dien-1-yl-N,N,N'-trimethylethane-1,2-diamine;ethane;N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine
CID 142409694
N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 155085404
1-(2-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 173071006
1-(1-Methoxycyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 173123661
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)-4-methylpiperazine
CID 173135030
1-Ethyl-4-(1-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 173595318

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine (CID 142040641) is 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine is CCOC1=C(N2CCN(C)CC2)CCC=C1.
What is the InChIKey of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The InChIKey is IENFYXIGXRWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-16-13-7-5-4-6-12(13)15-10-8-14(2)9-11-15/h5,7H,3-4,6,8-11H2,1-2H3.
What are the key properties of 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine has a molecular weight of 222.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 142040641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).