1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine

C17H27N3O2S — CID 878477

IUPAC1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H27N3O2S/c1-23(21,22)20-13-11-19(12-14-20)17-7-9-18(10-8-17)15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyQTKYWMORVDKILO-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.23
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine

1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine (PubChem CID 878477) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
PubChem CID878477
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H27N3O2S/c1-23(21,22)20-13-11-19(12-14-20)17-7-9-18(10-8-17)15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyQTKYWMORVDKILO-UHFFFAOYSA-N
XLogP1.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.23
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-methylsulfonylpiperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine (CID 878477) is 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine?
The InChIKey is QTKYWMORVDKILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-23(21,22)20-13-11-19(12-14-20)17-7-9-18(10-8-17)15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine?
1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine has a molecular weight of 337.49 g/mol, XLogP of 1.23, 4 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-methylsulfonylpiperazine is sourced from PubChem (CID 878477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).