2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one

C22H35NO2 — CID 155584765

IUPAC2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one
SMILESCCC(C)C(=O)c1cc(OCCC2CCN(C)CC2)ccc1C(C)C
InChIInChI=1S/C22H35NO2/c1-6-17(4)22(24)21-15-19(7-8-20(21)16(2)3)25-14-11-18-9-12-23(5)13-10-18/h7-8,15-18H,6,9-14H2,1-5H3
InChIKeyHHZSFYHDISYCPF-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.15
Rot. Bonds8

About 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one

2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one (PubChem CID 155584765) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one
PubChem CID155584765
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one
SMILESCCC(C)C(=O)c1cc(OCCC2CCN(C)CC2)ccc1C(C)C
InChIInChI=1S/C22H35NO2/c1-6-17(4)22(24)21-15-19(7-8-20(21)16(2)3)25-14-11-18-9-12-23(5)13-10-18/h7-8,15-18H,6,9-14H2,1-5H3
InChIKeyHHZSFYHDISYCPF-UHFFFAOYSA-N
XLogP5.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
1-[2-[3-methyl-4-(2-methylbutanoyl)phenoxy]ethyl]piperidine-4-carboxylic acid
CID 156886401
2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 59079892
(2R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 99972258
2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443
1-(2-ethylbutyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine
CID 70054145
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
2-(3,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99702462
4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
CID 146312573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one?
The IUPAC name of 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one (CID 155584765) is 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one?
The canonical SMILES for 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one is CCC(C)C(=O)c1cc(OCCC2CCN(C)CC2)ccc1C(C)C.
What is the InChIKey of 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one?
The InChIKey is HHZSFYHDISYCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-6-17(4)22(24)21-15-19(7-8-20(21)16(2)3)25-14-11-18-9-12-23(5)13-10-18/h7-8,15-18H,6,9-14H2,1-5H3.
What are the key properties of 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one?
2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one has a molecular weight of 345.53 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one is sourced from PubChem (CID 155584765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).