(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone

C22H26FNO — CID 5234410

IUPAC(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
InChIKeyFTJXZACAQRDRNT-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.74
Rot. Bonds7

About (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone (PubChem CID 5234410) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone
PubChem CID5234410
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
InChIKeyFTJXZACAQRDRNT-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone (CID 5234410) is (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
The InChIKey is FTJXZACAQRDRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2.
What are the key properties of (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone has a molecular weight of 339.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone is sourced from PubChem (CID 5234410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).