1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine

C28H30F3N — CID 10741629

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H30F3N/c29-25-9-3-21(4-10-25)20-22-15-18-32(19-16-22)17-1-2-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h3-14,22,28H,1-2,15-20H2
InChIKeyOJNZZWUICYZZJQ-UHFFFAOYSA-N
MW437.55 g/mol
LogP6.97
Rot. Bonds8

About 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine

1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine (PubChem CID 10741629) has the molecular formula C28H30F3N and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine
PubChem CID10741629
Molecular FormulaC28H30F3N
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H30F3N/c29-25-9-3-21(4-10-25)20-22-15-18-32(19-16-22)17-1-2-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h3-14,22,28H,1-2,15-20H2
InChIKeyOJNZZWUICYZZJQ-UHFFFAOYSA-N
XLogP6.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine (CID 10741629) is 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is OJNZZWUICYZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N/c29-25-9-3-21(4-10-25)20-22-15-18-32(19-16-22)17-1-2-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h3-14,22,28H,1-2,15-20H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 437.55 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 10741629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).