1-pyridin-4-ylpiperidine-4-thiol

C10H14N2S — CID 153166689

IUPAC1-pyridin-4-ylpiperidine-4-thiol
SMILESSC1CCN(c2ccncc2)CC1
InChIInChI=1S/C10H14N2S/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6,10,13H,3-4,7-8H2
InChIKeyWDKGNQJPZIWZLC-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.98
Rot. Bonds1

About 1-pyridin-4-ylpiperidine-4-thiol

1-pyridin-4-ylpiperidine-4-thiol (PubChem CID 153166689) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-pyridin-4-ylpiperidine-4-thiol.

Molecular Properties

Compound Name1-pyridin-4-ylpiperidine-4-thiol
PubChem CID153166689
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-pyridin-4-ylpiperidine-4-thiol
SMILESSC1CCN(c2ccncc2)CC1
InChIInChI=1S/C10H14N2S/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6,10,13H,3-4,7-8H2
InChIKeyWDKGNQJPZIWZLC-UHFFFAOYSA-N
XLogP1.98
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpiperidine-4-thiol?
The IUPAC name of 1-pyridin-4-ylpiperidine-4-thiol (CID 153166689) is 1-pyridin-4-ylpiperidine-4-thiol.
What is the SMILES notation for 1-pyridin-4-ylpiperidine-4-thiol?
The canonical SMILES for 1-pyridin-4-ylpiperidine-4-thiol is SC1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-pyridin-4-ylpiperidine-4-thiol?
The InChIKey is WDKGNQJPZIWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6,10,13H,3-4,7-8H2.
What are the key properties of 1-pyridin-4-ylpiperidine-4-thiol?
1-pyridin-4-ylpiperidine-4-thiol has a molecular weight of 194.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpiperidine-4-thiol is sourced from PubChem (CID 153166689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).