1-piperidin-4-yl-3,4-dihydroquinoline-2-thione

C14H18N2S — CID 18960737

IUPAC1-piperidin-4-yl-3,4-dihydroquinoline-2-thione
SMILESS=C1CCc2ccccc2N1C1CCNCC1
InChIInChI=1S/C14H18N2S/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12/h1-4,12,15H,5-10H2
InChIKeyUEVYXLYNEMDRBT-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.52
Rot. Bonds1

About 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione

1-piperidin-4-yl-3,4-dihydroquinoline-2-thione (PubChem CID 18960737) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione.

Molecular Properties

Compound Name1-piperidin-4-yl-3,4-dihydroquinoline-2-thione
PubChem CID18960737
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-piperidin-4-yl-3,4-dihydroquinoline-2-thione
SMILESS=C1CCc2ccccc2N1C1CCNCC1
InChIInChI=1S/C14H18N2S/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12/h1-4,12,15H,5-10H2
InChIKeyUEVYXLYNEMDRBT-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.52
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 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione?
The IUPAC name of 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione (CID 18960737) is 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione.
What is the SMILES notation for 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione?
The canonical SMILES for 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione is S=C1CCc2ccccc2N1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione?
The InChIKey is UEVYXLYNEMDRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12/h1-4,12,15H,5-10H2.
What are the key properties of 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione?
1-piperidin-4-yl-3,4-dihydroquinoline-2-thione has a molecular weight of 246.38 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3,4-dihydroquinoline-2-thione is sourced from PubChem (CID 18960737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).