1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol

C12H19NOS — CID 114910656

IUPAC1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol
SMILESCc1ccc(C(C)(O)C2CCCCN2)s1
InChIInChI=1S/C12H19NOS/c1-9-6-7-11(15-9)12(2,14)10-5-3-4-8-13-10/h6-7,10,13-14H,3-5,8H2,1-2H3
InChIKeyHVYKCMLAJIXFBA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.41
Rot. Bonds2

About 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol

1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol (PubChem CID 114910656) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol
PubChem CID114910656
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol
SMILESCc1ccc(C(C)(O)C2CCCCN2)s1
InChIInChI=1S/C12H19NOS/c1-9-6-7-11(15-9)12(2,14)10-5-3-4-8-13-10/h6-7,10,13-14H,3-5,8H2,1-2H3
InChIKeyHVYKCMLAJIXFBA-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol
CID 130826239
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
cyclohexyl-phenyl-piperidin-2-ylmethanol
CID 23856895
(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid
CID 68974861
2-piperidin-2-ylpropan-2-amine
CID 55284786
1,1,1-triamino-3-(azocan-2-yl)-2-methylbutane-2,3-diol
CID 142662822
1-(azetidin-3-yl)-1-piperidin-2-ylethanol
CID 131162758

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol?
The IUPAC name of 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol (CID 114910656) is 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol is Cc1ccc(C(C)(O)C2CCCCN2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol?
The InChIKey is HVYKCMLAJIXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-6-7-11(15-9)12(2,14)10-5-3-4-8-13-10/h6-7,10,13-14H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol?
1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol has a molecular weight of 225.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol is sourced from PubChem (CID 114910656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).