1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one

C18H27NO2 — CID 79060041

IUPAC1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCOc1ccc(C(=O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-4-18(3,19-13-7-6-8-14-19)17(20)15-9-11-16(12-10-15)21-5-2/h9-12H,4-8,13-14H2,1-3H3
InChIKeyUNNFYTJBJJDCCV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one

1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one (PubChem CID 79060041) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
PubChem CID79060041
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCOc1ccc(C(=O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-4-18(3,19-13-7-6-8-14-19)17(20)15-9-11-16(12-10-15)21-5-2/h9-12H,4-8,13-14H2,1-3H3
InChIKeyUNNFYTJBJJDCCV-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
CID 79065877
2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-one
CID 79065128
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one
CID 20547304
(2R,4R)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
CID 97292408
2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
CID 116747344
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 129155328
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one (CID 79060041) is 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one is CCOc1ccc(C(=O)C(C)(CC)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The InChIKey is UNNFYTJBJJDCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-18(3,19-13-7-6-8-14-19)17(20)15-9-11-16(12-10-15)21-5-2/h9-12H,4-8,13-14H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one?
1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 79060041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).