1-(3-chlorophenyl)-4-hexylpiperazine

C16H25ClN2 — CID 610696

IUPAC1-(3-chlorophenyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2/c1-2-3-4-5-9-18-10-12-19(13-11-18)16-8-6-7-15(17)14-16/h6-8,14H,2-5,9-13H2,1H3
InChIKeyQTPPYQBUYPBJIC-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.04
Rot. Bonds6

About 1-(3-chlorophenyl)-4-hexylpiperazine

1-(3-chlorophenyl)-4-hexylpiperazine (PubChem CID 610696) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-hexylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-hexylpiperazine
PubChem CID610696
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(3-chlorophenyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2/c1-2-3-4-5-9-18-10-12-19(13-11-18)16-8-6-7-15(17)14-16/h6-8,14H,2-5,9-13H2,1H3
InChIKeyQTPPYQBUYPBJIC-UHFFFAOYSA-N
XLogP4.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.04
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-(3-chlorophenyl)-4-hexylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-hexylpiperazine (CID 610696) is 1-(3-chlorophenyl)-4-hexylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-hexylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-hexylpiperazine is CCCCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-hexylpiperazine?
The InChIKey is QTPPYQBUYPBJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-2-3-4-5-9-18-10-12-19(13-11-18)16-8-6-7-15(17)14-16/h6-8,14H,2-5,9-13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-hexylpiperazine?
1-(3-chlorophenyl)-4-hexylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-hexylpiperazine is sourced from PubChem (CID 610696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).