1-hepta-1,3,5-trien-2-yl-4-methylpiperazine

C12H20N2 — CID 91275510

IUPAC1-hepta-1,3,5-trien-2-yl-4-methylpiperazine
SMILESC=C(C=CC=CC)N1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14/h4-7H,2,8-11H2,1,3H3
InChIKeyPCUVULPPXGXLOX-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.88
Rot. Bonds3

About 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine

1-hepta-1,3,5-trien-2-yl-4-methylpiperazine (PubChem CID 91275510) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine.

Molecular Properties

Compound Name1-hepta-1,3,5-trien-2-yl-4-methylpiperazine
PubChem CID91275510
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-hepta-1,3,5-trien-2-yl-4-methylpiperazine
SMILESC=C(C=CC=CC)N1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14/h4-7H,2,8-11H2,1,3H3
InChIKeyPCUVULPPXGXLOX-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.88
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

6-ethenyl-1-methyl-2H-pyridine
CID 22719088
1-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-4-methylpiperazine
CID 122521314
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 145468344
1-(5-fluoro-1-methyl-2H-pyridin-3-yl)-4-methylpiperazine
CID 156424085
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]-4-methylpiperazine
CID 157906708
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine
CID 171622131
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314

Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine?
The IUPAC name of 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine (CID 91275510) is 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine.
What is the SMILES notation for 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine?
The canonical SMILES for 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine is C=C(C=CC=CC)N1CCN(C)CC1.
What is the InChIKey of 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine?
The InChIKey is PCUVULPPXGXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14/h4-7H,2,8-11H2,1,3H3.
What are the key properties of 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine?
1-hepta-1,3,5-trien-2-yl-4-methylpiperazine has a molecular weight of 192.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,3,5-trien-2-yl-4-methylpiperazine is sourced from PubChem (CID 91275510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).