1-tricosylpiperazine

C27H56N2 — CID 130183651

IUPAC1-tricosylpiperazine
SMILESCCCCCCCCCCCCCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C27H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-26-23-28-24-27-29/h28H,2-27H2,1H3
InChIKeyIMKBCSJIQXMSFG-UHFFFAOYSA-N
MW408.76 g/mol
LogP8.10
Rot. Bonds22

About 1-tricosylpiperazine

1-tricosylpiperazine (PubChem CID 130183651) has the molecular formula C27H56N2 and a molecular weight of 408.76 g/mol. Its IUPAC name is 1-tricosylpiperazine.

Molecular Properties

Compound Name1-tricosylpiperazine
PubChem CID130183651
Molecular FormulaC27H56N2
Molecular Weight408.76 g/mol
Exact Mass408.44
IUPAC Name1-tricosylpiperazine
SMILESCCCCCCCCCCCCCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C27H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-26-23-28-24-27-29/h28H,2-27H2,1H3
InChIKeyIMKBCSJIQXMSFG-UHFFFAOYSA-N
XLogP8.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.76
LogP ≤ 58.10
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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Related Compounds

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CID 67333838
1-(3-decylsulfonylpropyl)piperazine
CID 150001783
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Frequently Asked Questions

What is the IUPAC name of 1-tricosylpiperazine?
The IUPAC name of 1-tricosylpiperazine (CID 130183651) is 1-tricosylpiperazine.
What is the SMILES notation for 1-tricosylpiperazine?
The canonical SMILES for 1-tricosylpiperazine is CCCCCCCCCCCCCCCCCCCCCCCN1CCNCC1.
What is the InChIKey of 1-tricosylpiperazine?
The InChIKey is IMKBCSJIQXMSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-26-23-28-24-27-29/h28H,2-27H2,1H3.
What are the key properties of 1-tricosylpiperazine?
1-tricosylpiperazine has a molecular weight of 408.76 g/mol, XLogP of 8.10, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tricosylpiperazine is sourced from PubChem (CID 130183651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).