(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone

C18H18FNO2 — CID 110605378

IUPAC(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-15-7-4-6-14(12-15)18(21)20-11-5-10-17(13-20)22-16-8-2-1-3-9-16/h1-4,6-9,12,17H,5,10-11,13H2
InChIKeyISNJZUDSTVBMCB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.51
Rot. Bonds3

About (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone

(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone (PubChem CID 110605378) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
PubChem CID110605378
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C18H18FNO2/c19-15-7-4-6-14(12-15)18(21)20-11-5-10-17(13-20)22-16-8-2-1-3-9-16/h1-4,6-9,12,17H,5,10-11,13H2
InChIKeyISNJZUDSTVBMCB-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110427239
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
7-fluoro-3-(3-phenoxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 110614922
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone (CID 110605378) is (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone is O=C(c1cccc(F)c1)N1CCCC(Oc2ccccc2)C1.
What is the InChIKey of (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone?
The InChIKey is ISNJZUDSTVBMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-7-4-6-14(12-15)18(21)20-11-5-10-17(13-20)22-16-8-2-1-3-9-16/h1-4,6-9,12,17H,5,10-11,13H2.
What are the key properties of (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone?
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone has a molecular weight of 299.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 110605378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).