1-undecylpiperazine

C15H32N2 — CID 12930911

IUPAC1-undecylpiperazine
SMILESCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-13-17-14-11-16-12-15-17/h16H,2-15H2,1H3
InChIKeyFRXJFWKZDKKRIP-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds10

About 1-undecylpiperazine

1-undecylpiperazine (PubChem CID 12930911) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-undecylpiperazine.

Molecular Properties

Compound Name1-undecylpiperazine
PubChem CID12930911
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-undecylpiperazine
SMILESCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-13-17-14-11-16-12-15-17/h16H,2-15H2,1H3
InChIKeyFRXJFWKZDKKRIP-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
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-undecylpiperazine?
The IUPAC name of 1-undecylpiperazine (CID 12930911) is 1-undecylpiperazine.
What is the SMILES notation for 1-undecylpiperazine?
The canonical SMILES for 1-undecylpiperazine is CCCCCCCCCCCN1CCNCC1.
What is the InChIKey of 1-undecylpiperazine?
The InChIKey is FRXJFWKZDKKRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-13-17-14-11-16-12-15-17/h16H,2-15H2,1H3.
What are the key properties of 1-undecylpiperazine?
1-undecylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecylpiperazine is sourced from PubChem (CID 12930911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).