1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine

C15H24N2OS — CID 2992878

IUPAC1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
SMILESCN1CCN(CCOCCSc2ccccc2)CC1
InChIInChI=1S/C15H24N2OS/c1-16-7-9-17(10-8-16)11-12-18-13-14-19-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyIDCNHFGSHROYQV-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.04
Rot. Bonds7

About 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine

1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine (PubChem CID 2992878) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
PubChem CID2992878
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
SMILESCN1CCN(CCOCCSc2ccccc2)CC1
InChIInChI=1S/C15H24N2OS/c1-16-7-9-17(10-8-16)11-12-18-13-14-19-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyIDCNHFGSHROYQV-UHFFFAOYSA-N
XLogP2.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.04
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

1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2923533
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine
CID 83020816
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
CID 2582694
1-methyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazine;hydrochloride
CID 2992853
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
CID 112731206
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
2-methyl-1-[4-(4-methylpiperazin-1-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373042
1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazine
CID 2299558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine (CID 2992878) is 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine is CN1CCN(CCOCCSc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine?
The InChIKey is IDCNHFGSHROYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-16-7-9-17(10-8-16)11-12-18-13-14-19-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine?
1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine has a molecular weight of 280.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine is sourced from PubChem (CID 2992878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).