(4-methoxyphenyl)-piperazin-1-ylmethanethione

C12H16N2OS — CID 975144

IUPAC(4-methoxyphenyl)-piperazin-1-ylmethanethione
SMILESCOc1ccc(C(=S)N2CCNCC2)cc1
InChIInChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)12(16)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKeyFPEZNMUNQZAXNM-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.28
Rot. Bonds2

About (4-methoxyphenyl)-piperazin-1-ylmethanethione

(4-methoxyphenyl)-piperazin-1-ylmethanethione (PubChem CID 975144) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (4-methoxyphenyl)-piperazin-1-ylmethanethione.

Molecular Properties

Compound Name(4-methoxyphenyl)-piperazin-1-ylmethanethione
PubChem CID975144
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(4-methoxyphenyl)-piperazin-1-ylmethanethione
SMILESCOc1ccc(C(=S)N2CCNCC2)cc1
InChIInChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)12(16)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKeyFPEZNMUNQZAXNM-UHFFFAOYSA-N
XLogP1.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-methoxyphenyl)-piperazin-1-ylmethanethione?
The IUPAC name of (4-methoxyphenyl)-piperazin-1-ylmethanethione (CID 975144) is (4-methoxyphenyl)-piperazin-1-ylmethanethione.
What is the SMILES notation for (4-methoxyphenyl)-piperazin-1-ylmethanethione?
The canonical SMILES for (4-methoxyphenyl)-piperazin-1-ylmethanethione is COc1ccc(C(=S)N2CCNCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-piperazin-1-ylmethanethione?
The InChIKey is FPEZNMUNQZAXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)12(16)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3.
What are the key properties of (4-methoxyphenyl)-piperazin-1-ylmethanethione?
(4-methoxyphenyl)-piperazin-1-ylmethanethione has a molecular weight of 236.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-piperazin-1-ylmethanethione is sourced from PubChem (CID 975144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).