1-nonylpiperazine

C13H28N2 — CID 2737098

IUPAC1-nonylpiperazine
SMILESCCCCCCCCCN1CCNCC1
InChIInChI=1S/C13H28N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h14H,2-13H2,1H3
InChIKeyJXSIBFCQEWUEDI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds8

About 1-nonylpiperazine

1-nonylpiperazine (PubChem CID 2737098) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-nonylpiperazine.

Molecular Properties

Compound Name1-nonylpiperazine
PubChem CID2737098
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-nonylpiperazine
SMILESCCCCCCCCCN1CCNCC1
InChIInChI=1S/C13H28N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h14H,2-13H2,1H3
InChIKeyJXSIBFCQEWUEDI-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-nonylpiperazine?
The IUPAC name of 1-nonylpiperazine (CID 2737098) is 1-nonylpiperazine.
What is the SMILES notation for 1-nonylpiperazine?
The canonical SMILES for 1-nonylpiperazine is CCCCCCCCCN1CCNCC1.
What is the InChIKey of 1-nonylpiperazine?
The InChIKey is JXSIBFCQEWUEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-2-3-4-5-6-7-8-11-15-12-9-14-10-13-15/h14H,2-13H2,1H3.
What are the key properties of 1-nonylpiperazine?
1-nonylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylpiperazine is sourced from PubChem (CID 2737098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).