4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine

C18H23NOS2 — CID 23464732

IUPAC4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine
SMILESCOC(C)CN1CCC(=C(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C18H23NOS2/c1-14(20-2)13-19-9-7-15(8-10-19)18(16-5-3-11-21-16)17-6-4-12-22-17/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyDWSXNXVRKLRFQK-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.74
Rot. Bonds5

About 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine

4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine (PubChem CID 23464732) has the molecular formula C18H23NOS2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine.

Molecular Properties

Compound Name4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine
PubChem CID23464732
Molecular FormulaC18H23NOS2
Molecular Weight333.52 g/mol
Exact Mass333.12
IUPAC Name4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine
SMILESCOC(C)CN1CCC(=C(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C18H23NOS2/c1-14(20-2)13-19-9-7-15(8-10-19)18(16-5-3-11-21-16)17-6-4-12-22-17/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyDWSXNXVRKLRFQK-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine?
The IUPAC name of 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine (CID 23464732) is 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine.
What is the SMILES notation for 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine?
The canonical SMILES for 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine is COC(C)CN1CCC(=C(c2cccs2)c2cccs2)CC1.
What is the InChIKey of 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine?
The InChIKey is DWSXNXVRKLRFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS2/c1-14(20-2)13-19-9-7-15(8-10-19)18(16-5-3-11-21-16)17-6-4-12-22-17/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine?
4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine has a molecular weight of 333.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dithiophen-2-ylmethylidene)-1-(2-methoxypropyl)piperidine is sourced from PubChem (CID 23464732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).