(2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone

C10H11Cl2NO2S — CID 103604646

IUPAC(2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(O)CC1
InChIInChI=1S/C10H11Cl2NO2S/c11-8-5-7(9(12)16-8)10(15)13-3-1-6(14)2-4-13/h5-6,14H,1-4H2
InChIKeyKTAJEBDWEIJOAK-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.65
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone

(2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 103604646) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID103604646
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(O)CC1
InChIInChI=1S/C10H11Cl2NO2S/c11-8-5-7(9(12)16-8)10(15)13-3-1-6(14)2-4-13/h5-6,14H,1-4H2
InChIKeyKTAJEBDWEIJOAK-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 103604646) is (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCC(O)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is KTAJEBDWEIJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-8-5-7(9(12)16-8)10(15)13-3-1-6(14)2-4-13/h5-6,14H,1-4H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 280.18 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 103604646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).