1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine

C19H32N4O2S — CID 113079193

IUPAC1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(c2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H32N4O2S/c1-3-4-17-26(24,25)23-15-13-22(14-16-23)19-7-5-18(6-8-19)21-11-9-20(2)10-12-21/h5-8H,3-4,9-17H2,1-2H3
InChIKeyWTZNDHDPRYUNJN-UHFFFAOYSA-N
MW380.56 g/mol
LogP1.69
Rot. Bonds6

About 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine

1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine (PubChem CID 113079193) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
PubChem CID113079193
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(c2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C19H32N4O2S/c1-3-4-17-26(24,25)23-15-13-22(14-16-23)19-7-5-18(6-8-19)21-11-9-20(2)10-12-21/h5-8H,3-4,9-17H2,1-2H3
InChIKeyWTZNDHDPRYUNJN-UHFFFAOYSA-N
XLogP1.69
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-butylsulfonylpiperazin-1-yl)benzonitrile
CID 113081083
1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
1-(3-bromo-4-methylphenyl)-4-butylsulfonylpiperazine
CID 113077343
1-butylsulfonyl-4-(4-phenylmethoxyphenyl)piperazine
CID 113079245
4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978
1-butylsulfonyl-4-(3-chloro-4-methoxyphenyl)piperazine
CID 113077135
1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
CID 113079079
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658
1-(3-chloropropylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 43654044

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine (CID 113079193) is 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine is CCCCS(=O)(=O)N1CCN(c2ccc(N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine?
The InChIKey is WTZNDHDPRYUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-3-4-17-26(24,25)23-15-13-22(14-16-23)19-7-5-18(6-8-19)21-11-9-20(2)10-12-21/h5-8H,3-4,9-17H2,1-2H3.
What are the key properties of 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine?
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine has a molecular weight of 380.56 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 113079193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).