2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol

C15H20ClF2NOS — CID 167023899

IUPAC2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol
SMILESCC1CC(c2sc(Cl)cc2CCO)CC(C2CC2(F)F)N1
InChIInChI=1S/C15H20ClF2NOS/c1-8-4-10(5-12(19-8)11-7-15(11,17)18)14-9(2-3-20)6-13(16)21-14/h6,8,10-12,19-20H,2-5,7H2,1H3
InChIKeyFBBVHSFLXSIERN-UHFFFAOYSA-N
MW335.85 g/mol
LogP3.82
Rot. Bonds4

About 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol

2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol (PubChem CID 167023899) has the molecular formula C15H20ClF2NOS and a molecular weight of 335.85 g/mol. Its IUPAC name is 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol
PubChem CID167023899
Molecular FormulaC15H20ClF2NOS
Molecular Weight335.85 g/mol
Exact Mass335.09
IUPAC Name2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol
SMILESCC1CC(c2sc(Cl)cc2CCO)CC(C2CC2(F)F)N1
InChIInChI=1S/C15H20ClF2NOS/c1-8-4-10(5-12(19-8)11-7-15(11,17)18)14-9(2-3-20)6-13(16)21-14/h6,8,10-12,19-20H,2-5,7H2,1H3
InChIKeyFBBVHSFLXSIERN-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol?
The IUPAC name of 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol (CID 167023899) is 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol?
The canonical SMILES for 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol is CC1CC(c2sc(Cl)cc2CCO)CC(C2CC2(F)F)N1.
What is the InChIKey of 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol?
The InChIKey is FBBVHSFLXSIERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NOS/c1-8-4-10(5-12(19-8)11-7-15(11,17)18)14-9(2-3-20)6-13(16)21-14/h6,8,10-12,19-20H,2-5,7H2,1H3.
What are the key properties of 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol?
2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol has a molecular weight of 335.85 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[2-(2,2-difluorocyclopropyl)-6-methylpiperidin-4-yl]thiophen-3-yl]ethanol is sourced from PubChem (CID 167023899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).