1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C13H19NO2S — CID 55064995

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(CCO)C1
InChIInChI=1S/C13H19NO2S/c15-6-3-11-2-1-5-14(9-11)13(16)8-12-4-7-17-10-12/h4,7,10-11,15H,1-3,5-6,8-9H2
InChIKeyLKPZWUYLSYUDBX-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.91
Rot. Bonds4

About 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 55064995) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID55064995
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(CCO)C1
InChIInChI=1S/C13H19NO2S/c15-6-3-11-2-1-5-14(9-11)13(16)8-12-4-7-17-10-12/h4,7,10-11,15H,1-3,5-6,8-9H2
InChIKeyLKPZWUYLSYUDBX-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 55064995) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is LKPZWUYLSYUDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-6-3-11-2-1-5-14(9-11)13(16)8-12-4-7-17-10-12/h4,7,10-11,15H,1-3,5-6,8-9H2.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 253.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 55064995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).