1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine

C14H24N2O2 — CID 141085631

IUPAC1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine
SMILESCOC1=C(OCCN2CCN(C)CC2)CCC=C1
InChIInChI=1S/C14H24N2O2/c1-15-7-9-16(10-8-15)11-12-18-14-6-4-3-5-13(14)17-2/h3,5H,4,6-12H2,1-2H3
InChIKeyNEZRDHCAMYWEFM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.46
Rot. Bonds5

About 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine

1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine (PubChem CID 141085631) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine
PubChem CID141085631
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine
SMILESCOC1=C(OCCN2CCN(C)CC2)CCC=C1
InChIInChI=1S/C14H24N2O2/c1-15-7-9-16(10-8-15)11-12-18-14-6-4-3-5-13(14)17-2/h3,5H,4,6-12H2,1-2H3
InChIKeyNEZRDHCAMYWEFM-UHFFFAOYSA-N
XLogP1.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.46
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
2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
2-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylethanamine
CID 22619772
7-Methoxy-4-prop-2-enyl-2,3,4a,5-tetrahydro-1,4-benzoxazine
CID 70458047
1-Methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
CID 71170408
4-[2-(4-Iodo-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
CID 71170410
3,6-Diethoxy-6-morpholin-4-ylcyclohexa-2,4-diene-1-diazonium;ZINC;chloride
CID 88609851
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
1-(2-Methoxyethyl)-4-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]piperazine
CID 134579878
4-(1,5-Diethoxycyclohexa-2,4-dien-1-yl)morpholine
CID 141610374
2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 142036077
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine (CID 141085631) is 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine is COC1=C(OCCN2CCN(C)CC2)CCC=C1.
What is the InChIKey of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?
The InChIKey is NEZRDHCAMYWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-7-9-16(10-8-15)11-12-18-14-6-4-3-5-13(14)17-2/h3,5H,4,6-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?
1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine has a molecular weight of 252.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine is sourced from PubChem (CID 141085631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).