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

C19H26FNO3 — CID 50847107

IUPAC[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO3/c20-18-3-1-16(2-4-18)13-23-11-7-15-5-9-21(10-6-15)19(22)17-8-12-24-14-17/h1-4,15,17H,5-14H2
InChIKeyYIAXQTRPQHVBCU-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.01
Rot. Bonds6

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

[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 50847107) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID50847107
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO3/c20-18-3-1-16(2-4-18)13-23-11-7-15-5-9-21(10-6-15)19(22)17-8-12-24-14-17/h1-4,15,17H,5-14H2
InChIKeyYIAXQTRPQHVBCU-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone (CID 50847107) is [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC(CCOCc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is YIAXQTRPQHVBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-18-3-1-16(2-4-18)13-23-11-7-15-5-9-21(10-6-15)19(22)17-8-12-24-14-17/h1-4,15,17H,5-14H2.
What are the key properties of [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone?
[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 335.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 50847107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).