1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine

C22H29N3O2S — CID 1131737

IUPAC1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H29N3O2S/c26-28(27,22-9-5-2-6-10-22)25-17-15-24(16-18-25)21-11-13-23(14-12-21)19-20-7-3-1-4-8-20/h1-10,21H,11-19H2
InChIKeyUNYRIFXSDNXVEU-UHFFFAOYSA-N
MW399.56 g/mol
LogP2.66
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine

1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine (PubChem CID 1131737) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine
PubChem CID1131737
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H29N3O2S/c26-28(27,22-9-5-2-6-10-22)25-17-15-24(16-18-25)21-11-13-23(14-12-21)19-20-7-3-1-4-8-20/h1-10,21H,11-19H2
InChIKeyUNYRIFXSDNXVEU-UHFFFAOYSA-N
XLogP2.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine (CID 1131737) is 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine is O=S(=O)(c1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine?
The InChIKey is UNYRIFXSDNXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c26-28(27,22-9-5-2-6-10-22)25-17-15-24(16-18-25)21-11-13-23(14-12-21)19-20-7-3-1-4-8-20/h1-10,21H,11-19H2.
What are the key properties of 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine?
1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine has a molecular weight of 399.56 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine is sourced from PubChem (CID 1131737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).