1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine

C20H24ClFN2 — CID 57401819

IUPAC1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine
SMILESFc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClFN2/c21-18-6-10-20(11-7-18)24-15-13-23(14-16-24)12-2-1-3-17-4-8-19(22)9-5-17/h4-11H,1-3,12-16H2
InChIKeyARWONURFSGKTJW-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.62
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine

1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine (PubChem CID 57401819) has the molecular formula C20H24ClFN2 and a molecular weight of 346.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine
PubChem CID57401819
Molecular FormulaC20H24ClFN2
Molecular Weight346.88 g/mol
Exact Mass346.16
IUPAC Name1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine
SMILESFc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClFN2/c21-18-6-10-20(11-7-18)24-15-13-23(14-16-24)12-2-1-3-17-4-8-19(22)9-5-17/h4-11H,1-3,12-16H2
InChIKeyARWONURFSGKTJW-UHFFFAOYSA-N
XLogP4.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.62
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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Related Compounds

Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-4-phenylpiperazine
CID 511484
1-Benzyl-4-(3-chloro-phenyl)-piperazine
CID 413525
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
1-(2-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 409926
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
1-(2-Chlorophenyl)-4-(3-phenylpropyl)piperazine
CID 2845629
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
1-Phenethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2845594
N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine (CID 57401819) is 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine is Fc1ccc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
The InChIKey is ARWONURFSGKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2/c21-18-6-10-20(11-7-18)24-15-13-23(14-16-24)12-2-1-3-17-4-8-19(22)9-5-17/h4-11H,1-3,12-16H2.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine?
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine has a molecular weight of 346.88 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)butyl]piperazine is sourced from PubChem (CID 57401819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).