1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine

C11H19ClN2 — CID 142272139

IUPAC1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine
SMILESC/C=C\C(=C(/C)Cl)N1CCN(C)CC1
InChIInChI=1S/C11H19ClN2/c1-4-5-11(10(2)12)14-8-6-13(3)7-9-14/h4-5H,6-9H2,1-3H3/b5-4-,11-10-
InChIKeyZORAXHOMPIDBAU-NKIGAPEHSA-N
MW214.74 g/mol
LogP2.28
Rot. Bonds2

About 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine

1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine (PubChem CID 142272139) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine
PubChem CID142272139
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine
SMILESC/C=C\C(=C(/C)Cl)N1CCN(C)CC1
InChIInChI=1S/C11H19ClN2/c1-4-5-11(10(2)12)14-8-6-13(3)7-9-14/h4-5H,6-9H2,1-3H3/b5-4-,11-10-
InChIKeyZORAXHOMPIDBAU-NKIGAPEHSA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
Carbanide;1-methyl-4-phenylpiperazine;yttrium
CID 58870665
1-(5-chloro-1-methyl-2H-pyridin-6-yl)-4-methylpiperazine
CID 69674748
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperazine
CID 89117773
1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]-4-methylpiperazine
CID 89117777
N'-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 89117794
1-ethyl-4-[(2E)-penta-2,4-dien-2-yl]piperazine
CID 90435666
1-[(Z)-3-chlorobut-2-enyl]-4-methylpiperazine
CID 90463823
1-Hepta-1,3,5-trien-2-yl-4-methylpiperazine
CID 91275510
4-(4-Methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride
CID 91332538
1-Ethyl-4-hexa-2,4-dien-2-ylpiperazine
CID 123379797

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine (CID 142272139) is 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine is C/C=C\C(=C(/C)Cl)N1CCN(C)CC1.
What is the InChIKey of 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine?
The InChIKey is ZORAXHOMPIDBAU-NKIGAPEHSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-4-5-11(10(2)12)14-8-6-13(3)7-9-14/h4-5H,6-9H2,1-3H3/b5-4-,11-10-.
What are the key properties of 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine?
1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine has a molecular weight of 214.74 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine is sourced from PubChem (CID 142272139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).