1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone

C17H25NO2 — CID 106836618

IUPAC1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-4-5-16(13(2)10-12)17(20)11-18-8-6-15(7-9-18)14(3)19/h4-5,10,14-15,19H,6-9,11H2,1-3H3
InChIKeyWKVGTWXKEIMCDD-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.58
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone

1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 106836618) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID106836618
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-4-5-16(13(2)10-12)17(20)11-18-8-6-15(7-9-18)14(3)19/h4-5,10,14-15,19H,6-9,11H2,1-3H3
InChIKeyWKVGTWXKEIMCDD-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 121200226
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 60650789
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111113853
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone (CID 106836618) is 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone is Cc1ccc(C(=O)CN2CCC(C(C)O)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is WKVGTWXKEIMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-4-5-16(13(2)10-12)17(20)11-18-8-6-15(7-9-18)14(3)19/h4-5,10,14-15,19H,6-9,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone?
1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 106836618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).