4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine

C19H25NOS2 — CID 23464717

IUPAC4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(=C(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C19H25NOS2/c1-15(2)21-12-11-20-9-7-16(8-10-20)19(17-5-3-13-22-17)18-6-4-14-23-18/h3-6,13-15H,7-12H2,1-2H3
InChIKeyLSHJQQOHDRUWNC-UHFFFAOYSA-N
MW347.55 g/mol
LogP5.13
Rot. Bonds6

About 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine

4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 23464717) has the molecular formula C19H25NOS2 and a molecular weight of 347.55 g/mol. Its IUPAC name is 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID23464717
Molecular FormulaC19H25NOS2
Molecular Weight347.55 g/mol
Exact Mass347.14
IUPAC Name4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(=C(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C19H25NOS2/c1-15(2)21-12-11-20-9-7-16(8-10-20)19(17-5-3-13-22-17)18-6-4-14-23-18/h3-6,13-15H,7-12H2,1-2H3
InChIKeyLSHJQQOHDRUWNC-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 55.13
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-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine (CID 23464717) is 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine is CC(C)OCCN1CCC(=C(c2cccs2)c2cccs2)CC1.
What is the InChIKey of 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is LSHJQQOHDRUWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS2/c1-15(2)21-12-11-20-9-7-16(8-10-20)19(17-5-3-13-22-17)18-6-4-14-23-18/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine?
4-(dithiophen-2-ylmethylidene)-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 347.55 g/mol, XLogP of 5.13, 6 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-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 23464717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).