1-(5-isocyano-2-pyridinyl)piperazine

C10H12N4 — CID 155632854

IUPAC1-(5-isocyano-2-pyridinyl)piperazine
SMILES[C-]#[N+]c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C10H12N4/c1-11-9-2-3-10(13-8-9)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2
InChIKeyOHXFYPPXTCQZEJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.04
Rot. Bonds1

About 1-(5-isocyano-2-pyridinyl)piperazine

1-(5-isocyano-2-pyridinyl)piperazine (PubChem CID 155632854) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(5-isocyano-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-isocyano-2-pyridinyl)piperazine
PubChem CID155632854
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-(5-isocyano-2-pyridinyl)piperazine
SMILES[C-]#[N+]c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C10H12N4/c1-11-9-2-3-10(13-8-9)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2
InChIKeyOHXFYPPXTCQZEJ-UHFFFAOYSA-N
XLogP1.04
TPSA32.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-isocyano-2-pyridinyl)piperazine?
The IUPAC name of 1-(5-isocyano-2-pyridinyl)piperazine (CID 155632854) is 1-(5-isocyano-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-isocyano-2-pyridinyl)piperazine?
The canonical SMILES for 1-(5-isocyano-2-pyridinyl)piperazine is [C-]#[N+]c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-(5-isocyano-2-pyridinyl)piperazine?
The InChIKey is OHXFYPPXTCQZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-11-9-2-3-10(13-8-9)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2.
What are the key properties of 1-(5-isocyano-2-pyridinyl)piperazine?
1-(5-isocyano-2-pyridinyl)piperazine has a molecular weight of 188.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-isocyano-2-pyridinyl)piperazine is sourced from PubChem (CID 155632854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).