1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione

C13H19N3OS — CID 89000502

IUPAC1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione
SMILESCCC(=S)N1CCN(c2ccc(OC)nc2)CC1
InChIInChI=1S/C13H19N3OS/c1-3-13(18)16-8-6-15(7-9-16)11-4-5-12(17-2)14-10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyPZHWSZIXWPIRDZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.95
Rot. Bonds3

About 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione

1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione (PubChem CID 89000502) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione.

Molecular Properties

Compound Name1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione
PubChem CID89000502
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione
SMILESCCC(=S)N1CCN(c2ccc(OC)nc2)CC1
InChIInChI=1S/C13H19N3OS/c1-3-13(18)16-8-6-15(7-9-16)11-4-5-12(17-2)14-10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyPZHWSZIXWPIRDZ-UHFFFAOYSA-N
XLogP1.95
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517
2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316830
5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 146043505
4-(4-fluorophenyl)-N'-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111038776
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine
CID 146038340
1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine
CID 142367845
1-ethyl-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]piperazine
CID 146606159
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 146042466
N-[(6-methoxy-3-pyridinyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962010
acetic acid;(2R)-2-amino-3-(1H-indol-3-yl)-1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propan-1-one
CID 163335173
5-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 159405923

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione?
The IUPAC name of 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione (CID 89000502) is 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione.
What is the SMILES notation for 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione?
The canonical SMILES for 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione is CCC(=S)N1CCN(c2ccc(OC)nc2)CC1.
What is the InChIKey of 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione?
The InChIKey is PZHWSZIXWPIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-13(18)16-8-6-15(7-9-16)11-4-5-12(17-2)14-10-11/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione?
1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione has a molecular weight of 265.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione is sourced from PubChem (CID 89000502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).