1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine

C14H24N2 — CID 88909240

IUPAC1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(C)=C\C=C(/C)N1CCN(CC)CC1
InChIInChI=1S/C14H24N2/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16/h5,7-8H,1,6,9-12H2,2-4H3/b13-7-,14-8+
InChIKeyBWYFKBFWVZOHMS-MFUUIURDSA-N
MW220.36 g/mol
LogP2.66
Rot. Bonds4

About 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine

1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine (PubChem CID 88909240) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine
PubChem CID88909240
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine
SMILESC=C/C(C)=C\C=C(/C)N1CCN(CC)CC1
InChIInChI=1S/C14H24N2/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16/h5,7-8H,1,6,9-12H2,2-4H3/b13-7-,14-8+
InChIKeyBWYFKBFWVZOHMS-MFUUIURDSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
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-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine (CID 88909240) is 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine is C=C/C(C)=C\C=C(/C)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine?
The InChIKey is BWYFKBFWVZOHMS-MFUUIURDSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-13(3)7-8-14(4)16-11-9-15(6-2)10-12-16/h5,7-8H,1,6,9-12H2,2-4H3/b13-7-,14-8+.
What are the key properties of 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine?
1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine is sourced from PubChem (CID 88909240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).