2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine

C16H26N2O2S — CID 106733197

IUPAC2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C16H26N2O2S/c1-3-10-21(19,20)11-9-18-13-16(17-12-14(18)2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyVMXSDQOJXWVVHT-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.85
Rot. Bonds6

About 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine

2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine (PubChem CID 106733197) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
PubChem CID106733197
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
SMILESCCCS(=O)(=O)CCN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C16H26N2O2S/c1-3-10-21(19,20)11-9-18-13-16(17-12-14(18)2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3
InChIKeyVMXSDQOJXWVVHT-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
CID 64877643
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
3-phenyl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733330
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
1-butylsulfonyl-2-methyl-5-phenylpiperazine
CID 82251741
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
7-methyl-1-(3-methylsulfonylpropyl)-3-phenyl-1,4-diazepane
CID 64869984
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
CID 106044003
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine?
The IUPAC name of 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine (CID 106733197) is 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine.
What is the SMILES notation for 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine?
The canonical SMILES for 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine is CCCS(=O)(=O)CCN1CC(c2ccccc2)NCC1C.
What is the InChIKey of 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine?
The InChIKey is VMXSDQOJXWVVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-10-21(19,20)11-9-18-13-16(17-12-14(18)2)15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3.
What are the key properties of 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine?
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine has a molecular weight of 310.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine is sourced from PubChem (CID 106733197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).