1-heptylpiperazine

C11H24N2 — CID 2736510

IUPAC1-heptylpiperazine
SMILESCCCCCCCN1CCNCC1
InChIInChI=1S/C11H24N2/c1-2-3-4-5-6-9-13-10-7-12-8-11-13/h12H,2-11H2,1H3
InChIKeyGFFSNSPNXPELQE-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds6

About 1-heptylpiperazine

1-heptylpiperazine (PubChem CID 2736510) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-heptylpiperazine.

Molecular Properties

Compound Name1-heptylpiperazine
PubChem CID2736510
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-heptylpiperazine
SMILESCCCCCCCN1CCNCC1
InChIInChI=1S/C11H24N2/c1-2-3-4-5-6-9-13-10-7-12-8-11-13/h12H,2-11H2,1H3
InChIKeyGFFSNSPNXPELQE-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
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-heptylpiperazine?
The IUPAC name of 1-heptylpiperazine (CID 2736510) is 1-heptylpiperazine.
What is the SMILES notation for 1-heptylpiperazine?
The canonical SMILES for 1-heptylpiperazine is CCCCCCCN1CCNCC1.
What is the InChIKey of 1-heptylpiperazine?
The InChIKey is GFFSNSPNXPELQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-2-3-4-5-6-9-13-10-7-12-8-11-13/h12H,2-11H2,1H3.
What are the key properties of 1-heptylpiperazine?
1-heptylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylpiperazine is sourced from PubChem (CID 2736510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).