2-piperidin-1-yl-1H-pyridine-4-thione

C10H14N2S — CID 69225280

IUPAC2-piperidin-1-yl-1H-pyridine-4-thione
SMILESS=c1cc[nH]c(N2CCCCC2)c1
InChIInChI=1S/C10H14N2S/c13-9-4-5-11-10(8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,11,13)
InChIKeyNFYQLNOVURXMQF-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.73
Rot. Bonds1

About 2-piperidin-1-yl-1H-pyridine-4-thione

2-piperidin-1-yl-1H-pyridine-4-thione (PubChem CID 69225280) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-piperidin-1-yl-1H-pyridine-4-thione
PubChem CID69225280
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-piperidin-1-yl-1H-pyridine-4-thione
SMILESS=c1cc[nH]c(N2CCCCC2)c1
InChIInChI=1S/C10H14N2S/c13-9-4-5-11-10(8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,11,13)
InChIKeyNFYQLNOVURXMQF-UHFFFAOYSA-N
XLogP2.73
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.73
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 2-piperidin-1-yl-1H-pyridine-4-thione?
The IUPAC name of 2-piperidin-1-yl-1H-pyridine-4-thione (CID 69225280) is 2-piperidin-1-yl-1H-pyridine-4-thione.
What is the SMILES notation for 2-piperidin-1-yl-1H-pyridine-4-thione?
The canonical SMILES for 2-piperidin-1-yl-1H-pyridine-4-thione is S=c1cc[nH]c(N2CCCCC2)c1.
What is the InChIKey of 2-piperidin-1-yl-1H-pyridine-4-thione?
The InChIKey is NFYQLNOVURXMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c13-9-4-5-11-10(8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,11,13).
What are the key properties of 2-piperidin-1-yl-1H-pyridine-4-thione?
2-piperidin-1-yl-1H-pyridine-4-thione has a molecular weight of 194.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1H-pyridine-4-thione is sourced from PubChem (CID 69225280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).