1-octyl-4-phenylpiperazine

C18H30N2 — CID 10423500

IUPAC1-octyl-4-phenylpiperazine
SMILESCCCCCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-10-13-19-14-16-20(17-15-19)18-11-8-7-9-12-18/h7-9,11-12H,2-6,10,13-17H2,1H3
InChIKeyMLFZMWYHNGZIQC-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.17
Rot. Bonds8

About 1-octyl-4-phenylpiperazine

1-octyl-4-phenylpiperazine (PubChem CID 10423500) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-octyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-octyl-4-phenylpiperazine
PubChem CID10423500
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-octyl-4-phenylpiperazine
SMILESCCCCCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-10-13-19-14-16-20(17-15-19)18-11-8-7-9-12-18/h7-9,11-12H,2-6,10,13-17H2,1H3
InChIKeyMLFZMWYHNGZIQC-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.17
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-phenylpiperazine?
The IUPAC name of 1-octyl-4-phenylpiperazine (CID 10423500) is 1-octyl-4-phenylpiperazine.
What is the SMILES notation for 1-octyl-4-phenylpiperazine?
The canonical SMILES for 1-octyl-4-phenylpiperazine is CCCCCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-octyl-4-phenylpiperazine?
The InChIKey is MLFZMWYHNGZIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-4-5-6-10-13-19-14-16-20(17-15-19)18-11-8-7-9-12-18/h7-9,11-12H,2-6,10,13-17H2,1H3.
What are the key properties of 1-octyl-4-phenylpiperazine?
1-octyl-4-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-4-phenylpiperazine is sourced from PubChem (CID 10423500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).