(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione

C14H20N2OS — CID 706914

IUPAC(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione
SMILESCCN1CCN(C(=S)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2OS/c1-3-15-8-10-16(11-9-15)14(18)12-4-6-13(17-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyQTDLKRSSFUXXOI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.01
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione

(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione (PubChem CID 706914) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione
PubChem CID706914
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione
SMILESCCN1CCN(C(=S)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2OS/c1-3-15-8-10-16(11-9-15)14(18)12-4-6-13(17-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyQTDLKRSSFUXXOI-UHFFFAOYSA-N
XLogP2.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione?
The IUPAC name of (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione (CID 706914) is (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione is CCN1CCN(C(=S)c2ccc(OC)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione?
The InChIKey is QTDLKRSSFUXXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-15-8-10-16(11-9-15)14(18)12-4-6-13(17-2)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione?
(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione has a molecular weight of 264.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methanethione is sourced from PubChem (CID 706914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).