1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine

C29H34F2N2 — CID 138460070

IUPAC1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine
SMILESFc1ccc(CCCCC(c2ccccc2)N2CCN(CCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H34F2N2/c30-27-14-10-24(11-15-27)6-4-5-9-29(26-7-2-1-3-8-26)33-22-20-32(21-23-33)19-18-25-12-16-28(31)17-13-25/h1-3,7-8,10-17,29H,4-6,9,18-23H2
InChIKeyHSIJNKGNBHHJMN-UHFFFAOYSA-N
MW448.60 g/mol
LogP6.28
Rot. Bonds10

About 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine

1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine (PubChem CID 138460070) has the molecular formula C29H34F2N2 and a molecular weight of 448.60 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine
PubChem CID138460070
Molecular FormulaC29H34F2N2
Molecular Weight448.60 g/mol
Exact Mass448.27
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine
SMILESFc1ccc(CCCCC(c2ccccc2)N2CCN(CCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H34F2N2/c30-27-14-10-24(11-15-27)6-4-5-9-29(26-7-2-1-3-8-26)33-22-20-32(21-23-33)19-18-25-12-16-28(31)17-13-25/h1-3,7-8,10-17,29H,4-6,9,18-23H2
InChIKeyHSIJNKGNBHHJMN-UHFFFAOYSA-N
XLogP6.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.60
LogP ≤ 56.28
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

1-butyl-4-(1,3-diphenylpropyl)piperazine
CID 67570000
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
CID 141054261
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(3-phenylpropylsulfanyl)propan-2-ol
CID 3072758
1-[(4-fluorophenyl)methyl]-4-(2-methyl-1-phenylpropyl)piperazine
CID 138460249
1-fluoro-4-[3-[3-(4-fluorophenyl)-1-phenylpropoxy]-3-phenylpropyl]benzene
CID 141324815
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
CID 19772037
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine
CID 10345208

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine (CID 138460070) is 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine is Fc1ccc(CCCCC(c2ccccc2)N2CCN(CCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine?
The InChIKey is HSIJNKGNBHHJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N2/c30-27-14-10-24(11-15-27)6-4-5-9-29(26-7-2-1-3-8-26)33-22-20-32(21-23-33)19-18-25-12-16-28(31)17-13-25/h1-3,7-8,10-17,29H,4-6,9,18-23H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine?
1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine has a molecular weight of 448.60 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine is sourced from PubChem (CID 138460070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).