2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol

C16H19NOS2 — CID 20575155

IUPAC2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol
SMILESOCCN1CCC(=C(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C16H19NOS2/c18-10-9-17-7-5-13(6-8-17)16(14-3-1-11-19-14)15-4-2-12-20-15/h1-4,11-12,18H,5-10H2
InChIKeyIEKKBRXWYZBINP-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol

2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol (PubChem CID 20575155) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol
PubChem CID20575155
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol
SMILESOCCN1CCC(=C(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C16H19NOS2/c18-10-9-17-7-5-13(6-8-17)16(14-3-1-11-19-14)15-4-2-12-20-15/h1-4,11-12,18H,5-10H2
InChIKeyIEKKBRXWYZBINP-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol (CID 20575155) is 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol is OCCN1CCC(=C(c2cccs2)c2cccs2)CC1.
What is the InChIKey of 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol?
The InChIKey is IEKKBRXWYZBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c18-10-9-17-7-5-13(6-8-17)16(14-3-1-11-19-14)15-4-2-12-20-15/h1-4,11-12,18H,5-10H2.
What are the key properties of 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol?
2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol has a molecular weight of 305.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dithiophen-2-ylmethylidene)piperidin-1-yl]ethanol is sourced from PubChem (CID 20575155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).