[4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone

C12H14Cl3NO2S — CID 107966205

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(OCCCl)CC1
InChIInChI=1S/C12H14Cl3NO2S/c13-3-6-18-8-1-4-16(5-2-8)12(17)9-7-10(14)19-11(9)15/h7-8H,1-6H2
InChIKeyHIKXBACMDFHETQ-UHFFFAOYSA-N
MW342.68 g/mol
LogP3.91
Rot. Bonds4

About [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107966205) has the molecular formula C12H14Cl3NO2S and a molecular weight of 342.68 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107966205
Molecular FormulaC12H14Cl3NO2S
Molecular Weight342.68 g/mol
Exact Mass340.98
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(OCCCl)CC1
InChIInChI=1S/C12H14Cl3NO2S/c13-3-6-18-8-1-4-16(5-2-8)12(17)9-7-10(14)19-11(9)15/h7-8H,1-6H2
InChIKeyHIKXBACMDFHETQ-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (CID 107966205) is [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCC(OCCCl)CC1.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is HIKXBACMDFHETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO2S/c13-3-6-18-8-1-4-16(5-2-8)12(17)9-7-10(14)19-11(9)15/h7-8H,1-6H2.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 342.68 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107966205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).