1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine

C24H32F2N2 — CID 15087733

IUPAC1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C24H32F2N2/c1-18(2)24-17-28(16-14-27-24)15-4-3-5-23(19-6-10-21(25)11-7-19)20-8-12-22(26)13-9-20/h6-13,18,23-24,27H,3-5,14-17H2,1-2H3
InChIKeyALFMTTGMUUJHNG-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.20
Rot. Bonds8

About 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine

1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine (PubChem CID 15087733) has the molecular formula C24H32F2N2 and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine
PubChem CID15087733
Molecular FormulaC24H32F2N2
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1
InChIInChI=1S/C24H32F2N2/c1-18(2)24-17-28(16-14-27-24)15-4-3-5-23(19-6-10-21(25)11-7-19)20-8-12-22(26)13-9-20/h6-13,18,23-24,27H,3-5,14-17H2,1-2H3
InChIKeyALFMTTGMUUJHNG-UHFFFAOYSA-N
XLogP5.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
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-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine (CID 15087733) is 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine is CC(C)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1.
What is the InChIKey of 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine?
The InChIKey is ALFMTTGMUUJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N2/c1-18(2)24-17-28(16-14-27-24)15-4-3-5-23(19-6-10-21(25)11-7-19)20-8-12-22(26)13-9-20/h6-13,18,23-24,27H,3-5,14-17H2,1-2H3.
What are the key properties of 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine?
1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine has a molecular weight of 386.53 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 15087733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).