(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone

C15H20FNO2 — CID 110762195

IUPAC(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(C)CC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-3-19-14-5-4-12(10-13(14)16)15(18)17-8-6-11(2)7-9-17/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyRWHRMOGSPZVUBG-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.10
Rot. Bonds3

About (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone

(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110762195) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110762195
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(C)CC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-3-19-14-5-4-12(10-13(14)16)15(18)17-8-6-11(2)7-9-17/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyRWHRMOGSPZVUBG-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
CID 110803776
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
cyclopentyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807508
ethyl 4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110809000
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
1-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110807635
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
(4-ethoxy-3-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809897
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone (CID 110762195) is (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone is CCOc1ccc(C(=O)N2CCC(C)CC2)cc1F.
What is the InChIKey of (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RWHRMOGSPZVUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-19-14-5-4-12(10-13(14)16)15(18)17-8-6-11(2)7-9-17/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone?
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 265.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110762195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).