4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine

C16H26N2OS — CID 56914012

IUPAC4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine
SMILESCOc1ccc(N2CCN(CCCSC)C(C)C2)cc1
InChIInChI=1S/C16H26N2OS/c1-14-13-18(11-10-17(14)9-4-12-20-3)15-5-7-16(19-2)8-6-15/h5-8,14H,4,9-13H2,1-3H3
InChIKeyFZHPKJRDDJMVEO-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.96
Rot. Bonds6

About 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine

4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine (PubChem CID 56914012) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine
PubChem CID56914012
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine
SMILESCOc1ccc(N2CCN(CCCSC)C(C)C2)cc1
InChIInChI=1S/C16H26N2OS/c1-14-13-18(11-10-17(14)9-4-12-20-3)15-5-7-16(19-2)8-6-15/h5-8,14H,4,9-13H2,1-3H3
InChIKeyFZHPKJRDDJMVEO-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine
CID 131944864
1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine
CID 150779486
(2S)-1-(2-chloroethyl)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazine
CID 143061845
2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
CID 68591948
(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 95821736
2-amino-8-[2-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
CID 175226450
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344114
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
4-methoxy-6-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72895619
1-[3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70719150
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline
CID 63677784

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine (CID 56914012) is 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine is COc1ccc(N2CCN(CCCSC)C(C)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
The InChIKey is FZHPKJRDDJMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-14-13-18(11-10-17(14)9-4-12-20-3)15-5-7-16(19-2)8-6-15/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine?
4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine has a molecular weight of 294.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-1-(3-methylsulfanylpropyl)piperazine is sourced from PubChem (CID 56914012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).