1-(4-ethylhexa-2,4-dien-3-yl)piperazine

C12H22N2 — CID 123642101

IUPAC1-(4-ethylhexa-2,4-dien-3-yl)piperazine
SMILESCC=C(CC)C(=CC)N1CCNCC1
InChIInChI=1S/C12H22N2/c1-4-11(5-2)12(6-3)14-9-7-13-8-10-14/h4,6,13H,5,7-10H2,1-3H3
InChIKeyVFDHCMOMIAZXHH-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-ethylhexa-2,4-dien-3-yl)piperazine

1-(4-ethylhexa-2,4-dien-3-yl)piperazine (PubChem CID 123642101) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(4-ethylhexa-2,4-dien-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-ethylhexa-2,4-dien-3-yl)piperazine
PubChem CID123642101
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(4-ethylhexa-2,4-dien-3-yl)piperazine
SMILESCC=C(CC)C(=CC)N1CCNCC1
InChIInChI=1S/C12H22N2/c1-4-11(5-2)12(6-3)14-9-7-13-8-10-14/h4,6,13H,5,7-10H2,1-3H3
InChIKeyVFDHCMOMIAZXHH-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylhexa-2,4-dien-3-yl)piperazine?
The IUPAC name of 1-(4-ethylhexa-2,4-dien-3-yl)piperazine (CID 123642101) is 1-(4-ethylhexa-2,4-dien-3-yl)piperazine.
What is the SMILES notation for 1-(4-ethylhexa-2,4-dien-3-yl)piperazine?
The canonical SMILES for 1-(4-ethylhexa-2,4-dien-3-yl)piperazine is CC=C(CC)C(=CC)N1CCNCC1.
What is the InChIKey of 1-(4-ethylhexa-2,4-dien-3-yl)piperazine?
The InChIKey is VFDHCMOMIAZXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11(5-2)12(6-3)14-9-7-13-8-10-14/h4,6,13H,5,7-10H2,1-3H3.
What are the key properties of 1-(4-ethylhexa-2,4-dien-3-yl)piperazine?
1-(4-ethylhexa-2,4-dien-3-yl)piperazine has a molecular weight of 194.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylhexa-2,4-dien-3-yl)piperazine is sourced from PubChem (CID 123642101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).