3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione

C13H20N2S — CID 143681669

IUPAC3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione
SMILESCc1[nH]c(=S)c(C)c(N2CCCCC2)c1C
InChIInChI=1S/C13H20N2S/c1-9-11(3)14-13(16)10(2)12(9)15-7-5-4-6-8-15/h4-8H2,1-3H3,(H,14,16)
InChIKeyOCVWRSFWELRFSI-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.66
Rot. Bonds1

About 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione

3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione (PubChem CID 143681669) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione
PubChem CID143681669
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione
SMILESCc1[nH]c(=S)c(C)c(N2CCCCC2)c1C
InChIInChI=1S/C13H20N2S/c1-9-11(3)14-13(16)10(2)12(9)15-7-5-4-6-8-15/h4-8H2,1-3H3,(H,14,16)
InChIKeyOCVWRSFWELRFSI-UHFFFAOYSA-N
XLogP3.66
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione?
The IUPAC name of 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione (CID 143681669) is 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione.
What is the SMILES notation for 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione?
The canonical SMILES for 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione is Cc1[nH]c(=S)c(C)c(N2CCCCC2)c1C.
What is the InChIKey of 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione?
The InChIKey is OCVWRSFWELRFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-11(3)14-13(16)10(2)12(9)15-7-5-4-6-8-15/h4-8H2,1-3H3,(H,14,16).
What are the key properties of 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione?
3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione has a molecular weight of 236.38 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-4-piperidin-1-yl-1H-pyridine-2-thione is sourced from PubChem (CID 143681669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).