[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone

C19H26FNO3 — CID 53150645

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FNO3/c20-17-4-1-3-16(13-17)14-23-12-8-15-6-9-21(10-7-15)19(22)18-5-2-11-24-18/h1,3-4,13,15,18H,2,5-12,14H2
InChIKeyJBAIOOMLONASOJ-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.15
Rot. Bonds6

About [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 53150645) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID53150645
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C19H26FNO3/c20-17-4-1-3-16(13-17)14-23-12-8-15-6-9-21(10-7-15)19(22)18-5-2-11-24-18/h1,3-4,13,15,18H,2,5-12,14H2
InChIKeyJBAIOOMLONASOJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.15
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]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 53150645) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is JBAIOOMLONASOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-17-4-1-3-16(13-17)14-23-12-8-15-6-9-21(10-7-15)19(22)18-5-2-11-24-18/h1,3-4,13,15,18H,2,5-12,14H2.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 335.42 g/mol, XLogP of 3.15, 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]-(oxolan-2-yl)methanone is sourced from PubChem (CID 53150645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).