[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone

C12H17NO2S — CID 79807562

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H17NO2S/c1-9-7-16-8-11(9)12(15)13-5-3-2-4-10(13)6-14/h7-8,10,14H,2-6H2,1H3
InChIKeyAYWGTGPSDXZYDY-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.04
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone (PubChem CID 79807562) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
PubChem CID79807562
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H17NO2S/c1-9-7-16-8-11(9)12(15)13-5-3-2-4-10(13)6-14/h7-8,10,14H,2-6H2,1H3
InChIKeyAYWGTGPSDXZYDY-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808516
[2-(2-chloroethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808164
2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79802677
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636460
[2-(hydroxymethyl)azepan-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 114029406
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103295962
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
(5-amino-2,4-dimethylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210096

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone (CID 79807562) is [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The InChIKey is AYWGTGPSDXZYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-7-16-8-11(9)12(15)13-5-3-2-4-10(13)6-14/h7-8,10,14H,2-6H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79807562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).