(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C13H19NO2S — CID 80706841

IUPAC(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(O)CC2)sc1C
InChIInChI=1S/C13H19NO2S/c1-9-8-11(17-10(9)2)12(15)14-6-4-13(3,16)5-7-14/h8,16H,4-7H2,1-3H3
InChIKeyDFKIMFKXDFQRCT-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.35
Rot. Bonds1

About (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 80706841) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID80706841
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(O)CC2)sc1C
InChIInChI=1S/C13H19NO2S/c1-9-8-11(17-10(9)2)12(15)14-6-4-13(3,16)5-7-14/h8,16H,4-7H2,1-3H3
InChIKeyDFKIMFKXDFQRCT-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-one
CID 60656667
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 120805049
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706890
2-[4-(4,5-dimethylthiophene-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521227
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80703397
(4-hydroxy-4-methylpiperidin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 80707284
(4,5-dimethylthiophen-2-yl)-[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418808
(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131652187
4-(4,5-dimethylthiophene-2-carbonyl)-1,4-diazepan-2-one
CID 62898324
N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86857648
(4,5-dimethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900652
3-azaspiro[5.5]undecan-3-yl-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79986679

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 80706841) is (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C)(O)CC2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is DFKIMFKXDFQRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-8-11(17-10(9)2)12(15)14-6-4-13(3,16)5-7-14/h8,16H,4-7H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80706841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).