1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

C13H19NO2S — CID 121200525

IUPAC1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CCO)CC1
InChIInChI=1S/C13H19NO2S/c15-8-5-11-3-6-14(7-4-11)13(16)10-12-2-1-9-17-12/h1-2,9,11,15H,3-8,10H2
InChIKeyLAVVHNDKLGGBFQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 121200525) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID121200525
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CCO)CC1
InChIInChI=1S/C13H19NO2S/c15-8-5-11-3-6-14(7-4-11)13(16)10-12-2-1-9-17-12/h1-2,9,11,15H,3-8,10H2
InChIKeyLAVVHNDKLGGBFQ-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

Analyze 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 121200525) is 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is LAVVHNDKLGGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-8-5-11-3-6-14(7-4-11)13(16)10-12-2-1-9-17-12/h1-2,9,11,15H,3-8,10H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-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-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 121200525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).