4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride

C10H16ClN3 — CID 91332538

IUPAC4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride
SMILES[H]/N=C(\Cl)C=CC(=C)N1CCN(C)CC1
InChIInChI=1S/C10H16ClN3/c1-9(3-4-10(11)12)14-7-5-13(2)6-8-14/h3-4,12H,1,5-8H2,2H3/b4-3?,12-10-
InChIKeyWFDLRZLULHBXRK-XEEUXSAFSA-N
MW213.71 g/mol
LogP1.52
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride

4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride (PubChem CID 91332538) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride
PubChem CID91332538
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride
SMILES[H]/N=C(\Cl)C=CC(=C)N1CCN(C)CC1
InChIInChI=1S/C10H16ClN3/c1-9(3-4-10(11)12)14-7-5-13(2)6-8-14/h3-4,12H,1,5-8H2,2H3/b4-3?,12-10-
InChIKeyWFDLRZLULHBXRK-XEEUXSAFSA-N
XLogP1.52
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride
CID 90305285
(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
CID 123708264
(3E,5Z)-4-(4-methylpiperazin-1-yl)hepta-3,5-dien-2-imine
CID 141805902
1-[(3E)-4-chlorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128650
1-[(2E,4E)-4-chlorohepta-2,4,6-trien-3-yl]-4-methylpiperazine
CID 142128660
1-[(3E,5Z)-4-chlorohepta-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128716
1-[(2E,4E)-5-chlorohepta-2,4,6-trien-3-yl]-4-methylpiperazine
CID 142128728
methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 142175146
1-[(2Z,4Z)-2-chlorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 142272139
(2E,4E)-5-chloro-6-(4-methylpiperazin-1-yl)hexa-2,4-dien-3-amine
CID 146517802
(2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride
CID 168948946
(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine
CID 142969804

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride?
The IUPAC name of 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride (CID 91332538) is 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride is [H]/N=C(\Cl)C=CC(=C)N1CCN(C)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride?
The InChIKey is WFDLRZLULHBXRK-XEEUXSAFSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-9(3-4-10(11)12)14-7-5-13(2)6-8-14/h3-4,12H,1,5-8H2,2H3/b4-3?,12-10-.
What are the key properties of 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride?
4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride has a molecular weight of 213.71 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride is sourced from PubChem (CID 91332538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).