1-(4-phenylpiperidin-1-yl)sulfonylpiperazine

C15H23N3O2S — CID 61251949

IUPAC1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
SMILESO=S(=O)(N1CCNCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,18-12-8-16-9-13-18)17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyHCJOYSPLFYNNRT-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.02
Rot. Bonds3

About 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine

1-(4-phenylpiperidin-1-yl)sulfonylpiperazine (PubChem CID 61251949) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
PubChem CID61251949
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
SMILESO=S(=O)(N1CCNCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O2S/c19-21(20,18-12-8-16-9-13-18)17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
InChIKeyHCJOYSPLFYNNRT-UHFFFAOYSA-N
XLogP1.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine (CID 61251949) is 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine is O=S(=O)(N1CCNCC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine?
The InChIKey is HCJOYSPLFYNNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20,18-12-8-16-9-13-18)17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,15-16H,6-13H2.
What are the key properties of 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine?
1-(4-phenylpiperidin-1-yl)sulfonylpiperazine has a molecular weight of 309.43 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperidin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 61251949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).