1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine

C12H22N2O — CID 142202951

IUPAC1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
SMILESC=C(CC/C(=C\C)N1CCNCC1)OC
InChIInChI=1S/C12H22N2O/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14/h4,13H,2,5-10H2,1,3H3/b12-4+
InChIKeyXGHKKTSAOAWPBG-UUILKARUSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds5

About 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine

1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine (PubChem CID 142202951) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
PubChem CID142202951
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
SMILESC=C(CC/C(=C\C)N1CCNCC1)OC
InChIInChI=1S/C12H22N2O/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14/h4,13H,2,5-10H2,1,3H3/b12-4+
InChIKeyXGHKKTSAOAWPBG-UUILKARUSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
CID 142040916
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
CID 142202950
1-(4-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 148531533
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 162686620
1-N-[2-(dimethylamino)ethyl]-5-methoxycyclohexa-2,4-diene-1,2,4-triamine
CID 163519766
N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142040917

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
The IUPAC name of 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine (CID 142202951) is 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine.
What is the SMILES notation for 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
The canonical SMILES for 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine is C=C(CC/C(=C\C)N1CCNCC1)OC.
What is the InChIKey of 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
The InChIKey is XGHKKTSAOAWPBG-UUILKARUSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(6-5-11(2)15-3)14-9-7-13-8-10-14/h4,13H,2,5-10H2,1,3H3/b12-4+.
What are the key properties of 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine?
1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine has a molecular weight of 210.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine is sourced from PubChem (CID 142202951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).