1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine

C14H24N2 — CID 131995784

IUPAC1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine
SMILESC=C(/C(C)=C\C(C)=C(C)C)N1CCNCC1
InChIInChI=1S/C14H24N2/c1-11(2)12(3)10-13(4)14(5)16-8-6-15-7-9-16/h10,15H,5-9H2,1-4H3/b13-10-
InChIKeyLCNIKUGTOBBUSA-RAXLEYEMSA-N
MW220.36 g/mol
LogP2.71
Rot. Bonds3

About 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine

1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine (PubChem CID 131995784) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine
PubChem CID131995784
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine
SMILESC=C(/C(C)=C\C(C)=C(C)C)N1CCNCC1
InChIInChI=1S/C14H24N2/c1-11(2)12(3)10-13(4)14(5)16-8-6-15-7-9-16/h10,15H,5-9H2,1-4H3/b13-10-
InChIKeyLCNIKUGTOBBUSA-RAXLEYEMSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.71
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-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine?
The IUPAC name of 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine (CID 131995784) is 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine?
The canonical SMILES for 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine is C=C(/C(C)=C\C(C)=C(C)C)N1CCNCC1.
What is the InChIKey of 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine?
The InChIKey is LCNIKUGTOBBUSA-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)12(3)10-13(4)14(5)16-8-6-15-7-9-16/h10,15H,5-9H2,1-4H3/b13-10-.
What are the key properties of 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine?
1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine is sourced from PubChem (CID 131995784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).