1-(6-nonyl-2-pyridinyl)piperazine

C18H31N3 — CID 14570963

IUPAC1-(6-nonyl-2-pyridinyl)piperazine
SMILESCCCCCCCCCc1cccc(N2CCNCC2)n1
InChIInChI=1S/C18H31N3/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(20-17)21-15-13-19-14-16-21/h9,11-12,19H,2-8,10,13-16H2,1H3
InChIKeyUPOXWKOGZDJMAW-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.78
Rot. Bonds9

About 1-(6-nonyl-2-pyridinyl)piperazine

1-(6-nonyl-2-pyridinyl)piperazine (PubChem CID 14570963) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(6-nonyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(6-nonyl-2-pyridinyl)piperazine
PubChem CID14570963
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(6-nonyl-2-pyridinyl)piperazine
SMILESCCCCCCCCCc1cccc(N2CCNCC2)n1
InChIInChI=1S/C18H31N3/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(20-17)21-15-13-19-14-16-21/h9,11-12,19H,2-8,10,13-16H2,1H3
InChIKeyUPOXWKOGZDJMAW-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-nonyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(6-nonyl-2-pyridinyl)piperazine (CID 14570963) is 1-(6-nonyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(6-nonyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(6-nonyl-2-pyridinyl)piperazine is CCCCCCCCCc1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-(6-nonyl-2-pyridinyl)piperazine?
The InChIKey is UPOXWKOGZDJMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(20-17)21-15-13-19-14-16-21/h9,11-12,19H,2-8,10,13-16H2,1H3.
What are the key properties of 1-(6-nonyl-2-pyridinyl)piperazine?
1-(6-nonyl-2-pyridinyl)piperazine has a molecular weight of 289.47 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nonyl-2-pyridinyl)piperazine is sourced from PubChem (CID 14570963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).