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

C11H18N2 — CID 138463352

IUPAC1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(C)/C=C\C(=C)N1CCNCC1
InChIInChI=1S/C11H18N2/c1-10(2)4-5-11(3)13-8-6-12-7-9-13/h4-5,12H,1,3,6-9H2,2H3/b5-4-
InChIKeyWFAKBBJKTLADNN-PLNGDYQASA-N
MW178.28 g/mol
LogP1.54
Rot. Bonds3

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

1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine (PubChem CID 138463352) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
PubChem CID138463352
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(C)/C=C\C(=C)N1CCNCC1
InChIInChI=1S/C11H18N2/c1-10(2)4-5-11(3)13-8-6-12-7-9-13/h4-5,12H,1,3,6-9H2,2H3/b5-4-
InChIKeyWFAKBBJKTLADNN-PLNGDYQASA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.54
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)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
The IUPAC name of 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine (CID 138463352) is 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
The canonical SMILES for 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine is C=C(C)/C=C\C(=C)N1CCNCC1.
What is the InChIKey of 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
The InChIKey is WFAKBBJKTLADNN-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18N2/c1-10(2)4-5-11(3)13-8-6-12-7-9-13/h4-5,12H,1,3,6-9H2,2H3/b5-4-.
What are the key properties of 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine has a molecular weight of 178.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine is sourced from PubChem (CID 138463352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).