2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol

C12H19NOS — CID 106436295

IUPAC2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol
SMILESCC1CCN(CC(O)c2ccsc2)CC1
InChIInChI=1S/C12H19NOS/c1-10-2-5-13(6-3-10)8-12(14)11-4-7-15-9-11/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3
InChIKeyHBIGRDNVUBGHBD-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol

2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol (PubChem CID 106436295) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol
PubChem CID106436295
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol
SMILESCC1CCN(CC(O)c2ccsc2)CC1
InChIInChI=1S/C12H19NOS/c1-10-2-5-13(6-3-10)8-12(14)11-4-7-15-9-11/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3
InChIKeyHBIGRDNVUBGHBD-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 111440919
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106436283
2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82216418
N-[3-[1-hydroxy-2-(4-methylpiperidin-1-yl)ethyl]phenyl]acetamide
CID 82216344
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol
CID 82487384
1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol (CID 106436295) is 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol is CC1CCN(CC(O)c2ccsc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol?
The InChIKey is HBIGRDNVUBGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-2-5-13(6-3-10)8-12(14)11-4-7-15-9-11/h4,7,9-10,12,14H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol?
2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol has a molecular weight of 225.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).