1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one

C20H30FNO2 — CID 110418641

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
SMILESCCOCC1CCCN(C(=O)CC(c2ccc(F)cc2)C(C)C)C1
InChIInChI=1S/C20H30FNO2/c1-4-24-14-16-6-5-11-22(13-16)20(23)12-19(15(2)3)17-7-9-18(21)10-8-17/h7-10,15-16,19H,4-6,11-14H2,1-3H3
InChIKeyLYMMCIFEMYNXAI-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.23
Rot. Bonds7

About 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one

1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one (PubChem CID 110418641) has the molecular formula C20H30FNO2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
PubChem CID110418641
Molecular FormulaC20H30FNO2
Molecular Weight335.46 g/mol
Exact Mass335.23
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
SMILESCCOCC1CCCN(C(=O)CC(c2ccc(F)cc2)C(C)C)C1
InChIInChI=1S/C20H30FNO2/c1-4-24-14-16-6-5-11-22(13-16)20(23)12-19(15(2)3)17-7-9-18(21)10-8-17/h7-10,15-16,19H,4-6,11-14H2,1-3H3
InChIKeyLYMMCIFEMYNXAI-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110416521
1-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110633160
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119786521
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617224
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one (CID 110418641) is 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one is CCOCC1CCCN(C(=O)CC(c2ccc(F)cc2)C(C)C)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one?
The InChIKey is LYMMCIFEMYNXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO2/c1-4-24-14-16-6-5-11-22(13-16)20(23)12-19(15(2)3)17-7-9-18(21)10-8-17/h7-10,15-16,19H,4-6,11-14H2,1-3H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one?
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one has a molecular weight of 335.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one is sourced from PubChem (CID 110418641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).