2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine

C11H18N2O — CID 144599678

IUPAC2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine
SMILESC1=CC(OCC2CNCCN2)=CCC1
InChIInChI=1S/C11H18N2O/c1-2-4-11(5-3-1)14-9-10-8-12-6-7-13-10/h2,4-5,10,12-13H,1,3,6-9H2
InChIKeyYSAIAUPVUIQXLK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.80
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine

2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine (PubChem CID 144599678) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine
PubChem CID144599678
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine
SMILESC1=CC(OCC2CNCCN2)=CCC1
InChIInChI=1S/C11H18N2O/c1-2-4-11(5-3-1)14-9-10-8-12-6-7-13-10/h2,4-5,10,12-13H,1,3,6-9H2
InChIKeyYSAIAUPVUIQXLK-UHFFFAOYSA-N
XLogP0.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(Methylamino)ethoxy]cyclohexa-2,4-dien-1-amine
CID 68200157
4-Piperidin-4-yloxycyclohexa-2,4-dien-1-amine
CID 68211950
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
1-(2-Octa-4,6-dien-3-yloxyethyl)piperazine
CID 123147935
N'-(2,3,7,8-tetrahydro-1,4-benzodioxin-3-ylmethyl)ethane-1,2-diamine
CID 140361644
1-[3-(3-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
CID 141006326
1-(6-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 141787665
Ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 142256489
Ethane;2-ethoxycyclohexa-1,3-diene;methane;piperazine
CID 144345944
2-Methoxycyclohexa-1,3-diene;morpholine
CID 144463140
2-(4aH-benzo[c]chromen-6-yl)piperazine
CID 153748089

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine (CID 144599678) is 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine is C1=CC(OCC2CNCCN2)=CCC1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine?
The InChIKey is YSAIAUPVUIQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-4-11(5-3-1)14-9-10-8-12-6-7-13-10/h2,4-5,10,12-13H,1,3,6-9H2.
What are the key properties of 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine?
2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-yloxymethyl)piperazine is sourced from PubChem (CID 144599678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).