1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine

C12H18N2O — CID 142202945

IUPAC1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine
SMILESCOC1=CCC=C(N2CCNCC2)C=C1
InChIInChI=1S/C12H18N2O/c1-15-12-4-2-3-11(5-6-12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKeyOJKZWKDOOXZMHY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.27
Rot. Bonds2

About 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine

1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine (PubChem CID 142202945) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine.

Molecular Properties

Compound Name1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine
PubChem CID142202945
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine
SMILESCOC1=CCC=C(N2CCNCC2)C=C1
InChIInChI=1S/C12H18N2O/c1-15-12-4-2-3-11(5-6-12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKeyOJKZWKDOOXZMHY-UHFFFAOYSA-N
XLogP1.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-Fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine
CID 143061932
1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
1-(3-Methoxycyclohexa-1,5-dien-1-yl)piperazine
CID 70289090
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
1-[(2Z,4Z)-3,4,5-trimethoxyocta-2,4,7-trienyl]piperazine
CID 89973152
N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 123324320
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
1-[6-[(Z)-3-methylpent-3-enoxy]cyclohepta-1,4,6-trien-1-yl]piperazine
CID 129046160
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 129055643
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine?
The IUPAC name of 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine (CID 142202945) is 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine.
What is the SMILES notation for 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine?
The canonical SMILES for 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine is COC1=CCC=C(N2CCNCC2)C=C1.
What is the InChIKey of 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine?
The InChIKey is OJKZWKDOOXZMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-4-2-3-11(5-6-12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine?
1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine has a molecular weight of 206.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxycyclohepta-1,4,6-trien-1-yl)piperazine is sourced from PubChem (CID 142202945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).