1-(2-phenylsulfanylpropan-2-yl)piperazine

C13H20N2S — CID 117035776

IUPAC1-(2-phenylsulfanylpropan-2-yl)piperazine
SMILESCC(C)(Sc1ccccc1)N1CCNCC1
InChIInChI=1S/C13H20N2S/c1-13(2,15-10-8-14-9-11-15)16-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKeyZVXMQUFHCVFENQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.42
Rot. Bonds3

About 1-(2-phenylsulfanylpropan-2-yl)piperazine

1-(2-phenylsulfanylpropan-2-yl)piperazine (PubChem CID 117035776) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(2-phenylsulfanylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-phenylsulfanylpropan-2-yl)piperazine
PubChem CID117035776
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(2-phenylsulfanylpropan-2-yl)piperazine
SMILESCC(C)(Sc1ccccc1)N1CCNCC1
InChIInChI=1S/C13H20N2S/c1-13(2,15-10-8-14-9-11-15)16-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKeyZVXMQUFHCVFENQ-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-chloro-1-phenylethyl)piperazine;hydrochloride
CID 70587857
1-tritylpiperazine
CID 11472931
2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one
CID 174680761
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792
2-fluoro-2-phenyl-2-piperazin-1-ylacetaldehyde
CID 90420859
1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine
CID 162497394
1-[2-methyl-3-[phenyl(pyrrolidin-1-yl)methyl]pent-3-en-2-yl]piperazine
CID 70025226
2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 116995174
1-[2-(4-ethylsulfanylphenyl)propan-2-yl]piperazine
CID 82501523
1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
CID 117035736
1-(2-cyclohexylsulfanylpropan-2-yl)piperazine
CID 117035794
3-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 82293905

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylpropan-2-yl)piperazine?
The IUPAC name of 1-(2-phenylsulfanylpropan-2-yl)piperazine (CID 117035776) is 1-(2-phenylsulfanylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(2-phenylsulfanylpropan-2-yl)piperazine?
The canonical SMILES for 1-(2-phenylsulfanylpropan-2-yl)piperazine is CC(C)(Sc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-(2-phenylsulfanylpropan-2-yl)piperazine?
The InChIKey is ZVXMQUFHCVFENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-13(2,15-10-8-14-9-11-15)16-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3.
What are the key properties of 1-(2-phenylsulfanylpropan-2-yl)piperazine?
1-(2-phenylsulfanylpropan-2-yl)piperazine has a molecular weight of 236.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylpropan-2-yl)piperazine is sourced from PubChem (CID 117035776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).