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

C22H27F2N — CID 21315244

IUPAC1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27F2N/c23-21-8-4-18(5-9-21)3-1-2-14-25-15-12-20(13-16-25)17-19-6-10-22(24)11-7-19/h4-11,20H,1-3,12-17H2
InChIKeyNCSDIMXXAGHFDR-UHFFFAOYSA-N
MW343.46 g/mol
LogP5.24
Rot. Bonds7

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

1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine (PubChem CID 21315244) has the molecular formula C22H27F2N and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine
PubChem CID21315244
Molecular FormulaC22H27F2N
Molecular Weight343.46 g/mol
Exact Mass343.21
IUPAC Name1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27F2N/c23-21-8-4-18(5-9-21)3-1-2-14-25-15-12-20(13-16-25)17-19-6-10-22(24)11-7-19/h4-11,20H,1-3,12-17H2
InChIKeyNCSDIMXXAGHFDR-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine (CID 21315244) is 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is NCSDIMXXAGHFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N/c23-21-8-4-18(5-9-21)3-1-2-14-25-15-12-20(13-16-25)17-19-6-10-22(24)11-7-19/h4-11,20H,1-3,12-17H2.
What are the key properties of 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine?
1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 343.46 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 21315244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).