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

C22H26FNO2 — CID 53150614

IUPAC[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CCOCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FNO2/c1-17-2-6-20(7-3-17)22(25)24-13-10-18(11-14-24)12-15-26-16-19-4-8-21(23)9-5-19/h2-9,18H,10-16H2,1H3
InChIKeyYXLXYYCMWHRJAS-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.59
Rot. Bonds6

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

[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 53150614) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID53150614
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CCOCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FNO2/c1-17-2-6-20(7-3-17)22(25)24-13-10-18(11-14-24)12-15-26-16-19-4-8-21(23)9-5-19/h2-9,18H,10-16H2,1H3
InChIKeyYXLXYYCMWHRJAS-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]-(4-methylphenyl)methanone?
The IUPAC name of [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone (CID 53150614) is [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(CCOCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is YXLXYYCMWHRJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-17-2-6-20(7-3-17)22(25)24-13-10-18(11-14-24)12-15-26-16-19-4-8-21(23)9-5-19/h2-9,18H,10-16H2,1H3.
What are the key properties of [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone?
[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 355.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 53150614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).