1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone

C14H21NO2S — CID 115276231

IUPAC1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1CC(=O)N1CC(O)CCC1(C)C
InChIInChI=1S/C14H21NO2S/c1-10-5-7-18-12(10)8-13(17)15-9-11(16)4-6-14(15,2)3/h5,7,11,16H,4,6,8-9H2,1-3H3
InChIKeyMNOQYMTUZANOFE-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.36
Rot. Bonds2

About 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone

1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone (PubChem CID 115276231) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
PubChem CID115276231
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1CC(=O)N1CC(O)CCC1(C)C
InChIInChI=1S/C14H21NO2S/c1-10-5-7-18-12(10)8-13(17)15-9-11(16)4-6-14(15,2)3/h5,7,11,16H,4,6,8-9H2,1-3H3
InChIKeyMNOQYMTUZANOFE-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
2,2-dimethyl-1-[2-(3-methylthiophen-2-yl)acetyl]pyrrolidin-3-one
CID 115275166
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 115276218
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115269399
1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115273030
(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276203
1-[2-(3-methylthiophen-2-yl)acetyl]piperidin-3-one
CID 115277128
(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115269415
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 115269393
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone (CID 115276231) is 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1CC(=O)N1CC(O)CCC1(C)C.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The InChIKey is MNOQYMTUZANOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-5-7-18-12(10)8-13(17)15-9-11(16)4-6-14(15,2)3/h5,7,11,16H,4,6,8-9H2,1-3H3.
What are the key properties of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone has a molecular weight of 267.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 115276231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).