2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol

C12H19NOS — CID 116860167

IUPAC2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
SMILESCc1ccsc1C(CO)N1CCCCC1
InChIInChI=1S/C12H19NOS/c1-10-5-8-15-12(10)11(9-14)13-6-3-2-4-7-13/h5,8,11,14H,2-4,6-7,9H2,1H3
InChIKeyRDZYYFTXLAKKKD-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol

2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol (PubChem CID 116860167) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
PubChem CID116860167
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
SMILESCc1ccsc1C(CO)N1CCCCC1
InChIInChI=1S/C12H19NOS/c1-10-5-8-15-12(10)11(9-14)13-6-3-2-4-7-13/h5,8,11,14H,2-4,6-7,9H2,1H3
InChIKeyRDZYYFTXLAKKKD-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol
CID 112540093
1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
CID 116860088
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol
CID 116860112
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
1-(azepan-1-yl)-2-chloro-2-(3-methylthiophen-2-yl)ethanone
CID 55047727
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol (CID 116860167) is 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol is Cc1ccsc1C(CO)N1CCCCC1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol?
The InChIKey is RDZYYFTXLAKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-5-8-15-12(10)11(9-14)13-6-3-2-4-7-13/h5,8,11,14H,2-4,6-7,9H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol?
2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol has a molecular weight of 225.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 116860167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).