1-(5-methylhepta-1,3,5-trien-2-yl)piperazine

C12H20N2 — CID 90950031

IUPAC1-(5-methylhepta-1,3,5-trien-2-yl)piperazine
SMILESC=C(C=CC(C)=CC)N1CCNCC1
InChIInChI=1S/C12H20N2/c1-4-11(2)5-6-12(3)14-9-7-13-8-10-14/h4-6,13H,3,7-10H2,1-2H3
InChIKeyJSHRKKVKIKSKDB-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.93
Rot. Bonds3

About 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine

1-(5-methylhepta-1,3,5-trien-2-yl)piperazine (PubChem CID 90950031) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine.

Molecular Properties

Compound Name1-(5-methylhepta-1,3,5-trien-2-yl)piperazine
PubChem CID90950031
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(5-methylhepta-1,3,5-trien-2-yl)piperazine
SMILESC=C(C=CC(C)=CC)N1CCNCC1
InChIInChI=1S/C12H20N2/c1-4-11(2)5-6-12(3)14-9-7-13-8-10-14/h4-6,13H,3,7-10H2,1-2H3
InChIKeyJSHRKKVKIKSKDB-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
Ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167043
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920
1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
CID 142862529
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
1-(5-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 142930825
1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine
CID 143298357
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine?
The IUPAC name of 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine (CID 90950031) is 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine.
What is the SMILES notation for 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine?
The canonical SMILES for 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine is C=C(C=CC(C)=CC)N1CCNCC1.
What is the InChIKey of 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine?
The InChIKey is JSHRKKVKIKSKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(2)5-6-12(3)14-9-7-13-8-10-14/h4-6,13H,3,7-10H2,1-2H3.
What are the key properties of 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine?
1-(5-methylhepta-1,3,5-trien-2-yl)piperazine has a molecular weight of 192.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhepta-1,3,5-trien-2-yl)piperazine is sourced from PubChem (CID 90950031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).