1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine

C14H26N2 — CID 123789556

IUPAC1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine
SMILESCC=C(C=C(C)CN1CCN(C)CC1)CC
InChIInChI=1S/C14H26N2/c1-5-14(6-2)11-13(3)12-16-9-7-15(4)8-10-16/h5,11H,6-10,12H2,1-4H3
InChIKeyRZVPDZBCSVEJKG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine

1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine (PubChem CID 123789556) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine
PubChem CID123789556
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine
SMILESCC=C(C=C(C)CN1CCN(C)CC1)CC
InChIInChI=1S/C14H26N2/c1-5-14(6-2)11-13(3)12-16-9-7-15(4)8-10-16/h5,11H,6-10,12H2,1-4H3
InChIKeyRZVPDZBCSVEJKG-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane
CID 123462135
1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
CID 155617676
4,4-difluoro-1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 146389433
1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 146877130
1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
CID 123499743
acetaldehyde;1-ethyl-4-methylpiperazine
CID 143528036
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
2-ethyl-4-(4-methylpiperazin-1-yl)but-2-enoic acid
CID 77102081
2-(4-ethyl-7-methyl-1,4,7-triazonan-1-yl)acetic acid
CID 159982673

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine?
The IUPAC name of 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine (CID 123789556) is 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine is CC=C(C=C(C)CN1CCN(C)CC1)CC.
What is the InChIKey of 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine?
The InChIKey is RZVPDZBCSVEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-14(6-2)11-13(3)12-16-9-7-15(4)8-10-16/h5,11H,6-10,12H2,1-4H3.
What are the key properties of 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine?
1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine is sourced from PubChem (CID 123789556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).