1-pentyl-4-(2-phenylethylsulfonyl)piperazine

C17H28N2O2S — CID 113075151

IUPAC1-pentyl-4-(2-phenylethylsulfonyl)piperazine
SMILESCCCCCN1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-2-3-7-11-18-12-14-19(15-13-18)22(20,21)16-10-17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3
InChIKeyULCMCFDETJHGGE-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.37
Rot. Bonds8

About 1-pentyl-4-(2-phenylethylsulfonyl)piperazine

1-pentyl-4-(2-phenylethylsulfonyl)piperazine (PubChem CID 113075151) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-pentyl-4-(2-phenylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-pentyl-4-(2-phenylethylsulfonyl)piperazine
PubChem CID113075151
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-pentyl-4-(2-phenylethylsulfonyl)piperazine
SMILESCCCCCN1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-2-3-7-11-18-12-14-19(15-13-18)22(20,21)16-10-17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3
InChIKeyULCMCFDETJHGGE-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775
1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)butan-1-one
CID 110398563
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
1-benzyl-4-heptylpiperazine
CID 22088087
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
CID 110413794
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(2-phenylethylsulfonyl)piperazine?
The IUPAC name of 1-pentyl-4-(2-phenylethylsulfonyl)piperazine (CID 113075151) is 1-pentyl-4-(2-phenylethylsulfonyl)piperazine.
What is the SMILES notation for 1-pentyl-4-(2-phenylethylsulfonyl)piperazine?
The canonical SMILES for 1-pentyl-4-(2-phenylethylsulfonyl)piperazine is CCCCCN1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-pentyl-4-(2-phenylethylsulfonyl)piperazine?
The InChIKey is ULCMCFDETJHGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-2-3-7-11-18-12-14-19(15-13-18)22(20,21)16-10-17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3.
What are the key properties of 1-pentyl-4-(2-phenylethylsulfonyl)piperazine?
1-pentyl-4-(2-phenylethylsulfonyl)piperazine has a molecular weight of 324.49 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(2-phenylethylsulfonyl)piperazine is sourced from PubChem (CID 113075151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).