1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium

C15H27N2+ — CID 169207766

IUPAC1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium
SMILESC=CC1=CC=CCC1.CC[N+]1(C)CCNCC1
InChIInChI=1S/C8H10.C7H17N2/c1-2-8-6-4-3-5-7-8;1-3-9(2)6-4-8-5-7-9/h2-4,6H,1,5,7H2;8H,3-7H2,1-2H3/q;+1
InChIKeyRFQYBVJMRGFBPE-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.50
Rot. Bonds2

About 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium

1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium (PubChem CID 169207766) has the molecular formula C15H27N2+ and a molecular weight of 235.39 g/mol. Its IUPAC name is 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium.

Molecular Properties

Compound Name1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium
PubChem CID169207766
Molecular FormulaC15H27N2+
Molecular Weight235.39 g/mol
Exact Mass235.22
IUPAC Name1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium
SMILESC=CC1=CC=CCC1.CC[N+]1(C)CCNCC1
InChIInChI=1S/C8H10.C7H17N2/c1-2-8-6-4-3-5-7-8;1-3-9(2)6-4-8-5-7-9/h2-4,6H,1,5,7H2;8H,3-7H2,1-2H3/q;+1
InChIKeyRFQYBVJMRGFBPE-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Piperazine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6445849
1-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)piperazine
CID 3039323
Geranylpiperazine
CID 14497703
1-(3,7-Dimethylocta-2,6-dienyl)piperazine
CID 53785157
1-[(4,4-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 141752811
1-[(6-Fluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 145187044
1-[(1Z,3Z)-4-ethyl-1-fluorohexa-1,3,5-trienyl]piperazine
CID 156792123
1-(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)piperazin-1-ium
CID 20672907
N-ethylethanamine;propylbenzene;yttrium(3+)
CID 21034054
1-[(E)-3-methylpent-2-enyl]piperazine
CID 22628662
1-(Cyclohexa-2,4-dien-1-ylmethyl)piperazine
CID 23453941
1-Hexa-3,5-dienylpiperazine
CID 53935338

Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium?
The IUPAC name of 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium (CID 169207766) is 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium.
What is the SMILES notation for 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium?
The canonical SMILES for 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium is C=CC1=CC=CCC1.CC[N+]1(C)CCNCC1.
What is the InChIKey of 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium?
The InChIKey is RFQYBVJMRGFBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H17N2/c1-2-8-6-4-3-5-7-8;1-3-9(2)6-4-8-5-7-9/h2-4,6H,1,5,7H2;8H,3-7H2,1-2H3/q;+1.
What are the key properties of 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium?
1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium has a molecular weight of 235.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexa-1,3-diene;1-ethyl-1-methylpiperazin-1-ium is sourced from PubChem (CID 169207766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).