1-benzyl-4-(3-phenylpropylsulfonyl)piperazine

C20H26N2O2S — CID 113073931

IUPAC1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
SMILESO=S(=O)(CCCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O2S/c23-25(24,17-7-12-19-8-3-1-4-9-19)22-15-13-21(14-16-22)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
InChIKeyBYJHOYYMBPSNAJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.77
Rot. Bonds7

About 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine

1-benzyl-4-(3-phenylpropylsulfonyl)piperazine (PubChem CID 113073931) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
PubChem CID113073931
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
SMILESO=S(=O)(CCCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O2S/c23-25(24,17-7-12-19-8-3-1-4-9-19)22-15-13-21(14-16-22)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
InChIKeyBYJHOYYMBPSNAJ-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 110646440
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
(4-benzylpiperazin-1-yl)-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 28633070
3,5-dimethyl-4-[[4-(3-phenylpropylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2-oxazole
CID 110646668
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
[4-(3-phenylpropylsulfonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110364704

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine?
The IUPAC name of 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine (CID 113073931) is 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine?
The canonical SMILES for 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine is O=S(=O)(CCCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine?
The InChIKey is BYJHOYYMBPSNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-25(24,17-7-12-19-8-3-1-4-9-19)22-15-13-21(14-16-22)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2.
What are the key properties of 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine?
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine has a molecular weight of 358.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-phenylpropylsulfonyl)piperazine is sourced from PubChem (CID 113073931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).