4-(4-propylsulfonylpiperazin-1-yl)phenol

C13H20N2O3S — CID 2422978

IUPAC4-(4-propylsulfonylpiperazin-1-yl)phenol
SMILESCCCS(=O)(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-2-11-19(17,18)15-9-7-14(8-10-15)12-3-5-13(16)6-4-12/h3-6,16H,2,7-11H2,1H3
InChIKeyZLALIYFXTTZONU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.25
Rot. Bonds4

About 4-(4-propylsulfonylpiperazin-1-yl)phenol

4-(4-propylsulfonylpiperazin-1-yl)phenol (PubChem CID 2422978) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(4-propylsulfonylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name4-(4-propylsulfonylpiperazin-1-yl)phenol
PubChem CID2422978
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(4-propylsulfonylpiperazin-1-yl)phenol
SMILESCCCS(=O)(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-2-11-19(17,18)15-9-7-14(8-10-15)12-3-5-13(16)6-4-12/h3-6,16H,2,7-11H2,1H3
InChIKeyZLALIYFXTTZONU-UHFFFAOYSA-N
XLogP1.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
CID 113079079
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
CID 113076966
1-(3-bromophenyl)-4-propylsulfonylpiperazine
CID 113079446
4-(4-butylsulfonylpiperazin-1-yl)benzonitrile
CID 113081083
N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 113078258
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
CID 113079918
1-butylsulfonyl-4-(4-phenylmethoxyphenyl)piperazine
CID 113079245
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylsulfonylpiperazin-1-yl)phenol?
The IUPAC name of 4-(4-propylsulfonylpiperazin-1-yl)phenol (CID 2422978) is 4-(4-propylsulfonylpiperazin-1-yl)phenol.
What is the SMILES notation for 4-(4-propylsulfonylpiperazin-1-yl)phenol?
The canonical SMILES for 4-(4-propylsulfonylpiperazin-1-yl)phenol is CCCS(=O)(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-propylsulfonylpiperazin-1-yl)phenol?
The InChIKey is ZLALIYFXTTZONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-11-19(17,18)15-9-7-14(8-10-15)12-3-5-13(16)6-4-12/h3-6,16H,2,7-11H2,1H3.
What are the key properties of 4-(4-propylsulfonylpiperazin-1-yl)phenol?
4-(4-propylsulfonylpiperazin-1-yl)phenol has a molecular weight of 284.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylsulfonylpiperazin-1-yl)phenol is sourced from PubChem (CID 2422978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).