1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine

C22H28ClN3O2S — CID 1122471

IUPAC1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H28ClN3O2S/c23-20-6-8-22(9-7-20)29(27,28)26-16-14-25(15-17-26)21-10-12-24(13-11-21)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2
InChIKeyWSRYGRQHDAVZTL-UHFFFAOYSA-N
MW434.01 g/mol
LogP3.31
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine

1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 1122471) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID1122471
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H28ClN3O2S/c23-20-6-8-22(9-7-20)29(27,28)26-16-14-25(15-17-26)21-10-12-24(13-11-21)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2
InChIKeyWSRYGRQHDAVZTL-UHFFFAOYSA-N
XLogP3.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine (CID 1122471) is 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is WSRYGRQHDAVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2S/c23-20-6-8-22(9-7-20)29(27,28)26-16-14-25(15-17-26)21-10-12-24(13-11-21)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine?
1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 434.01 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 1122471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).