[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone

C18H18ClFN2O2 — CID 156811026

IUPAC[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(COc2ccccc2Cl)cn1)N1CCC(F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-3-1-2-4-17(15)24-12-13-5-6-16(21-11-13)18(23)22-9-7-14(20)8-10-22/h1-6,11,14H,7-10,12H2
InChIKeyYLDGOLJLLPIUHB-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.89
Rot. Bonds4

About [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone

[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156811026) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID156811026
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(COc2ccccc2Cl)cn1)N1CCC(F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-15-3-1-2-4-17(15)24-12-13-5-6-16(21-11-13)18(23)22-9-7-14(20)8-10-22/h1-6,11,14H,7-10,12H2
InChIKeyYLDGOLJLLPIUHB-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone (CID 156811026) is [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone is O=C(c1ccc(COc2ccccc2Cl)cn1)N1CCC(F)CC1.
What is the InChIKey of [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is YLDGOLJLLPIUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-3-1-2-4-17(15)24-12-13-5-6-16(21-11-13)18(23)22-9-7-14(20)8-10-22/h1-6,11,14H,7-10,12H2.
What are the key properties of [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone?
[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 348.81 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156811026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).