1-octyl-4-propan-2-ylpiperazine

C15H32N2 — CID 22218560

IUPAC1-octyl-4-propan-2-ylpiperazine
SMILESCCCCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C15H32N2/c1-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)3/h15H,4-14H2,1-3H3
InChIKeyWHMGVQSTNLFHQT-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.37
Rot. Bonds8

About 1-octyl-4-propan-2-ylpiperazine

1-octyl-4-propan-2-ylpiperazine (PubChem CID 22218560) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-octyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-octyl-4-propan-2-ylpiperazine
PubChem CID22218560
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-octyl-4-propan-2-ylpiperazine
SMILESCCCCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C15H32N2/c1-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)3/h15H,4-14H2,1-3H3
InChIKeyWHMGVQSTNLFHQT-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
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-octyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-octyl-4-propan-2-ylpiperazine (CID 22218560) is 1-octyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-octyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-octyl-4-propan-2-ylpiperazine is CCCCCCCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-octyl-4-propan-2-ylpiperazine?
The InChIKey is WHMGVQSTNLFHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 1-octyl-4-propan-2-ylpiperazine?
1-octyl-4-propan-2-ylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 22218560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).