1-hexyl-4-(2-methoxyphenyl)piperazine

C17H28N2O — CID 11778231

IUPAC1-hexyl-4-(2-methoxyphenyl)piperazine
SMILESCCCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-3-4-5-8-11-18-12-14-19(15-13-18)16-9-6-7-10-17(16)20-2/h6-7,9-10H,3-5,8,11-15H2,1-2H3
InChIKeyQLLNEODTUOCQKR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds7

About 1-hexyl-4-(2-methoxyphenyl)piperazine

1-hexyl-4-(2-methoxyphenyl)piperazine (PubChem CID 11778231) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-hexyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-hexyl-4-(2-methoxyphenyl)piperazine
PubChem CID11778231
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-hexyl-4-(2-methoxyphenyl)piperazine
SMILESCCCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-3-4-5-8-11-18-12-14-19(15-13-18)16-9-6-7-10-17(16)20-2/h6-7,9-10H,3-5,8,11-15H2,1-2H3
InChIKeyQLLNEODTUOCQKR-UHFFFAOYSA-N
XLogP3.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hexyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-hexyl-4-(2-methoxyphenyl)piperazine (CID 11778231) is 1-hexyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-hexyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-hexyl-4-(2-methoxyphenyl)piperazine is CCCCCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-hexyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is QLLNEODTUOCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-8-11-18-12-14-19(15-13-18)16-9-6-7-10-17(16)20-2/h6-7,9-10H,3-5,8,11-15H2,1-2H3.
What are the key properties of 1-hexyl-4-(2-methoxyphenyl)piperazine?
1-hexyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 11778231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).