1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine

C14H22N2S — CID 64937086

IUPAC1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
SMILESCSc1ccc(N2CCNCC2C(C)C)cc1
InChIInChI=1S/C14H22N2S/c1-11(2)14-10-15-8-9-16(14)12-4-6-13(17-3)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyJHYUWHLBUYFREO-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine

1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine (PubChem CID 64937086) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
PubChem CID64937086
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
SMILESCSc1ccc(N2CCNCC2C(C)C)cc1
InChIInChI=1S/C14H22N2S/c1-11(2)14-10-15-8-9-16(14)12-4-6-13(17-3)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyJHYUWHLBUYFREO-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-2-propan-2-ylpiperazine
CID 64936711
2-propan-2-yl-1-(3,4,5-trifluorophenyl)piperazine
CID 64930921
2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64938811
1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64932305
1-(1-phenylpiperazin-2-yl)ethanol
CID 70356757
1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine
CID 146108324
1-(2-iodophenyl)-2-propan-2-ylpiperazine
CID 64932087
1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine
CID 64937670
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
methyl 3-[(2S)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073000
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine (CID 64937086) is 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine is CSc1ccc(N2CCNCC2C(C)C)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine?
The InChIKey is JHYUWHLBUYFREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(2)14-10-15-8-9-16(14)12-4-6-13(17-3)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine?
1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine has a molecular weight of 250.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).