1-methylcyclohexa-1,3-diene;1-methylpiperazine

C12H22N2 — CID 143193862

IUPAC1-methylcyclohexa-1,3-diene;1-methylpiperazine
SMILESCC1=CC=CCC1.CN1CCNCC1
InChIInChI=1S/C7H10.C5H12N2/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h2-3,5H,4,6H2,1H3;6H,2-5H2,1H3
InChIKeySIHCJBBXPLPRMD-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.80
Rot. Bonds

About 1-methylcyclohexa-1,3-diene;1-methylpiperazine

1-methylcyclohexa-1,3-diene;1-methylpiperazine (PubChem CID 143193862) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-methylcyclohexa-1,3-diene;1-methylpiperazine.

Molecular Properties

Compound Name1-methylcyclohexa-1,3-diene;1-methylpiperazine
PubChem CID143193862
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-methylcyclohexa-1,3-diene;1-methylpiperazine
SMILESCC1=CC=CCC1.CN1CCNCC1
InChIInChI=1S/C7H10.C5H12N2/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h2-3,5H,4,6H2,1H3;6H,2-5H2,1H3
InChIKeySIHCJBBXPLPRMD-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-methylcyclohexa-1,3-diene;1-methylpiperazine?
The IUPAC name of 1-methylcyclohexa-1,3-diene;1-methylpiperazine (CID 143193862) is 1-methylcyclohexa-1,3-diene;1-methylpiperazine.
What is the SMILES notation for 1-methylcyclohexa-1,3-diene;1-methylpiperazine?
The canonical SMILES for 1-methylcyclohexa-1,3-diene;1-methylpiperazine is CC1=CC=CCC1.CN1CCNCC1.
What is the InChIKey of 1-methylcyclohexa-1,3-diene;1-methylpiperazine?
The InChIKey is SIHCJBBXPLPRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C5H12N2/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h2-3,5H,4,6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1-methylcyclohexa-1,3-diene;1-methylpiperazine?
1-methylcyclohexa-1,3-diene;1-methylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-1,3-diene;1-methylpiperazine is sourced from PubChem (CID 143193862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).