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

C19H23NOS2 — CID 23464715

IUPAC1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
SMILESc1csc(C(=C2CCN(CCOC3CC3)CC2)c2cccs2)c1
InChIInChI=1S/C19H23NOS2/c1-3-17(22-13-1)19(18-4-2-14-23-18)15-7-9-20(10-8-15)11-12-21-16-5-6-16/h1-4,13-14,16H,5-12H2
InChIKeyUVIHDHNVSMKWCU-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.89
Rot. Bonds6

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

1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine (PubChem CID 23464715) has the molecular formula C19H23NOS2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
PubChem CID23464715
Molecular FormulaC19H23NOS2
Molecular Weight345.53 g/mol
Exact Mass345.12
IUPAC Name1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
SMILESc1csc(C(=C2CCN(CCOC3CC3)CC2)c2cccs2)c1
InChIInChI=1S/C19H23NOS2/c1-3-17(22-13-1)19(18-4-2-14-23-18)15-7-9-20(10-8-15)11-12-21-16-5-6-16/h1-4,13-14,16H,5-12H2
InChIKeyUVIHDHNVSMKWCU-UHFFFAOYSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Timepidium Bromide
CID 160243
Timepidium
CID 5476
Piperidine, 3-(di-2-thienylmethylene)-5-methoxy-1-methyl-
CID 215115
Piperidinium, 1,1-dimethyl-3-(di-2-thienylmethylene)-5-hydroxy-, bromide
CID 217402
4-[[5-[5-(2-Thienyl)-2-thienyl]-2-thienyl]methyl]morpholine
CID 454751
Timepidium Bromide Hydrate
CID 11954250
5-(Dithiophen-2-ylmethylidene)-1,1-dimethylpiperidin-1-ium-3-ol
CID 217403
Timepidium chloride
CID 13604123
Timepidium, (R)-
CID 25271734
Timepidium, (S)-
CID 40467243
Timepidium bromide, (S)-
CID 76963416
Timepidium bromide, (R)-
CID 76963417

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
The IUPAC name of 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine (CID 23464715) is 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine.
What is the SMILES notation for 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
The canonical SMILES for 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine is c1csc(C(=C2CCN(CCOC3CC3)CC2)c2cccs2)c1.
What is the InChIKey of 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
The InChIKey is UVIHDHNVSMKWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS2/c1-3-17(22-13-1)19(18-4-2-14-23-18)15-7-9-20(10-8-15)11-12-21-16-5-6-16/h1-4,13-14,16H,5-12H2.
What are the key properties of 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine has a molecular weight of 345.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine is sourced from PubChem (CID 23464715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).