4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine

C23H30N2O2S — CID 118308430

IUPAC4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C23H30N2O2S/c1-19-11-15-24(16-12-19)22-13-17-25(18-14-22)28(26,27)23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,19,22H,11-18H2,1H3
InChIKeyHKGRZGVOTRHHPV-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.24
Rot. Bonds4

About 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine

4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 118308430) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID118308430
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C23H30N2O2S/c1-19-11-15-24(16-12-19)22-13-17-25(18-14-22)28(26,27)23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,19,22H,11-18H2,1H3
InChIKeyHKGRZGVOTRHHPV-UHFFFAOYSA-N
XLogP4.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 118308430) is 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is HKGRZGVOTRHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-19-11-15-24(16-12-19)22-13-17-25(18-14-22)28(26,27)23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,19,22H,11-18H2,1H3.
What are the key properties of 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 398.57 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 118308430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).