[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone

C20H23FN2O2 — CID 53150648

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-5-3-4-17(14-18)15-25-13-9-16-7-11-23(12-8-16)20(24)19-6-1-2-10-22-19/h1-6,10,14,16H,7-9,11-13,15H2
InChIKeyDPAOZTSUQLFAIR-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.68
Rot. Bonds6

About [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 53150648) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID53150648
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-5-3-4-17(14-18)15-25-13-9-16-7-11-23(12-8-16)20(24)19-6-1-2-10-22-19/h1-6,10,14,16H,7-9,11-13,15H2
InChIKeyDPAOZTSUQLFAIR-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 53150648) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is DPAOZTSUQLFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-5-3-4-17(14-18)15-25-13-9-16-7-11-23(12-8-16)20(24)19-6-1-2-10-22-19/h1-6,10,14,16H,7-9,11-13,15H2.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 342.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 53150648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).