[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C21H23F2NO2 — CID 14968317

IUPAC[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO2/c22-18-4-2-16(3-5-18)21(25)17-10-13-24(14-11-17)12-1-15-26-20-8-6-19(23)7-9-20/h2-9,17H,1,10-15H2
InChIKeyKPQATFGUBIQOEE-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.33
Rot. Bonds7

About [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 14968317) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID14968317
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO2/c22-18-4-2-16(3-5-18)21(25)17-10-13-24(14-11-17)12-1-15-26-20-8-6-19(23)7-9-20/h2-9,17H,1,10-15H2
InChIKeyKPQATFGUBIQOEE-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697649
[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697538
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
CID 162643335
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 15290380
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]ethanone
CID 14407097
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
CID 67699856

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 14968317) is [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is KPQATFGUBIQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c22-18-4-2-16(3-5-18)21(25)17-10-13-24(14-11-17)12-1-15-26-20-8-6-19(23)7-9-20/h2-9,17H,1,10-15H2.
What are the key properties of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 359.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 14968317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).