1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine

C22H28F2N2 — CID 15087731

IUPAC1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine
SMILESCC1CNCCN1CCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H28F2N2/c1-17-16-25-13-15-26(17)14-3-2-4-22(18-5-9-20(23)10-6-18)19-7-11-21(24)12-8-19/h5-12,17,22,25H,2-4,13-16H2,1H3
InChIKeyNIGDAGLDTSXCQK-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.56
Rot. Bonds7

About 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine

1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine (PubChem CID 15087731) has the molecular formula C22H28F2N2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine
PubChem CID15087731
Molecular FormulaC22H28F2N2
Molecular Weight358.48 g/mol
Exact Mass358.22
IUPAC Name1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine
SMILESCC1CNCCN1CCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H28F2N2/c1-17-16-25-13-15-26(17)14-3-2-4-22(18-5-9-20(23)10-6-18)19-7-11-21(24)12-8-19/h5-12,17,22,25H,2-4,13-16H2,1H3
InChIKeyNIGDAGLDTSXCQK-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.56
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]-2-methylpiperazine?
The IUPAC name of 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine (CID 15087731) is 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine.
What is the SMILES notation for 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine?
The canonical SMILES for 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine is CC1CNCCN1CCCCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine?
The InChIKey is NIGDAGLDTSXCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2/c1-17-16-25-13-15-26(17)14-3-2-4-22(18-5-9-20(23)10-6-18)19-7-11-21(24)12-8-19/h5-12,17,22,25H,2-4,13-16H2,1H3.
What are the key properties of 1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine?
1-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazine has a molecular weight of 358.48 g/mol, XLogP of 4.56, 7 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]-2-methylpiperazine is sourced from PubChem (CID 15087731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).