1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine

C17H25Cl2FN2 — CID 604376

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine
SMILESFCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-9-22-12-10-21(11-13-22)8-3-1-2-7-20/h4-5,14H,1-3,6-13H2
InChIKeyRTZAOYPTRNELOX-UHFFFAOYSA-N
MW347.31 g/mol
LogP4.29
Rot. Bonds8

About 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine

1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine (PubChem CID 604376) has the molecular formula C17H25Cl2FN2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine
PubChem CID604376
Molecular FormulaC17H25Cl2FN2
Molecular Weight347.31 g/mol
Exact Mass346.14
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine
SMILESFCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-9-22-12-10-21(11-13-22)8-3-1-2-7-20/h4-5,14H,1-3,6-13H2
InChIKeyRTZAOYPTRNELOX-UHFFFAOYSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.29
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-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine (CID 604376) is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine is FCCCCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine?
The InChIKey is RTZAOYPTRNELOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-9-22-12-10-21(11-13-22)8-3-1-2-7-20/h4-5,14H,1-3,6-13H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine?
1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine has a molecular weight of 347.31 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(5-fluoropentyl)piperazine is sourced from PubChem (CID 604376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).