5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one

C23H26FNO — CID 69246489

IUPAC5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
SMILESO=C(C=Cc1ccc(F)cc1)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H26FNO/c24-22-9-6-19(7-10-22)8-11-23(26)14-17-25-15-12-21(13-16-25)18-20-4-2-1-3-5-20/h1-11,21H,12-18H2
InChIKeyFKFANARELICQIF-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.75
Rot. Bonds7

About 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one

5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one (PubChem CID 69246489) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
PubChem CID69246489
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
SMILESO=C(C=Cc1ccc(F)cc1)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H26FNO/c24-22-9-6-19(7-10-22)8-11-23(26)14-17-25-15-12-21(13-16-25)18-20-4-2-1-3-5-20/h1-11,21H,12-18H2
InChIKeyFKFANARELICQIF-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one
CID 59803282
5-(4-benzylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pent-1-en-3-one
CID 69247813
5-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69248140
(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one
CID 59444030
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
CID 119136182
(E)-3-(4-aminophenyl)-1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
CID 84552569
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
(E)-1-[4-[4-(4-benzylpiperidin-1-yl)butoxy]-2-hydroxyphenyl]-3-[4-[4-(4-benzylpiperidin-1-yl)butoxy]phenyl]prop-2-en-1-one
CID 155536307

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one (CID 69246489) is 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one is O=C(C=Cc1ccc(F)cc1)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one?
The InChIKey is FKFANARELICQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO/c24-22-9-6-19(7-10-22)8-11-23(26)14-17-25-15-12-21(13-16-25)18-20-4-2-1-3-5-20/h1-11,21H,12-18H2.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one?
5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one has a molecular weight of 351.47 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one is sourced from PubChem (CID 69246489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).