(2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride

C10H16ClN3 — CID 168948946

IUPAC(2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C=C\C)N1CCNCC1
InChIInChI=1S/C10H16ClN3/c1-2-3-4-9(10(11)12)14-7-5-13-6-8-14/h2-4,12-13H,5-8H2,1H3/b3-2+,9-4+,12-10-
InChIKeyXHQVZAVJBVCWCA-VOJGTWLXSA-N
MW213.71 g/mol
LogP1.57
Rot. Bonds3

About (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride

(2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride (PubChem CID 168948946) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name(2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride
PubChem CID168948946
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name(2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C=C\C)N1CCNCC1
InChIInChI=1S/C10H16ClN3/c1-2-3-4-9(10(11)12)14-7-5-13-6-8-14/h2-4,12-13H,5-8H2,1H3/b3-2+,9-4+,12-10-
InChIKeyXHQVZAVJBVCWCA-VOJGTWLXSA-N
XLogP1.57
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.57
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride?
The IUPAC name of (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride (CID 168948946) is (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride.
What is the SMILES notation for (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride?
The canonical SMILES for (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride is [H]/N=C(Cl)/C(=C\C=C\C)N1CCNCC1.
What is the InChIKey of (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride?
The InChIKey is XHQVZAVJBVCWCA-VOJGTWLXSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-2-3-4-9(10(11)12)14-7-5-13-6-8-14/h2-4,12-13H,5-8H2,1H3/b3-2+,9-4+,12-10-.
What are the key properties of (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride?
(2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride has a molecular weight of 213.71 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-piperazin-1-ylhexa-2,4-dienimidoyl chloride is sourced from PubChem (CID 168948946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).