1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine

C21H28N2OS — CID 10247707

IUPAC1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine
SMILESCOc1ccc(SCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H28N2OS/c1-18-5-3-6-19(17-18)23-14-12-22(13-15-23)11-4-16-25-21-9-7-20(24-2)8-10-21/h3,5-10,17H,4,11-16H2,1-2H3
InChIKeyLKNIUHNDJMNUCD-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.31
Rot. Bonds7

About 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine

1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine (PubChem CID 10247707) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine
PubChem CID10247707
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC Name1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine
SMILESCOc1ccc(SCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H28N2OS/c1-18-5-3-6-19(17-18)23-14-12-22(13-15-23)11-4-16-25-21-9-7-20(24-2)8-10-21/h3,5-10,17H,4,11-16H2,1-2H3
InChIKeyLKNIUHNDJMNUCD-UHFFFAOYSA-N
XLogP4.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
5-[3-[4-(3-methylphenyl)piperazin-1-yl]propylsulfanyl]-1,3,4-thiadiazol-2-amine;dihydrochloride
CID 139887265
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
CID 55911151
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 31912861
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine (CID 10247707) is 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine is COc1ccc(SCCCN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine?
The InChIKey is LKNIUHNDJMNUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-18-5-3-6-19(17-18)23-14-12-22(13-15-23)11-4-16-25-21-9-7-20(24-2)8-10-21/h3,5-10,17H,4,11-16H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine?
1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine has a molecular weight of 356.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 10247707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).