4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine

C14H28N2O2S — CID 91065075

IUPAC4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(C)(N2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-13-19(17,18)16-11-7-14(2,8-12-16)15-9-5-4-6-10-15/h3-13H2,1-2H3
InChIKeyCYDRUYVBEGOBKB-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.07
Rot. Bonds4

About 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine

4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine (PubChem CID 91065075) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine
PubChem CID91065075
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(C)(N2CCCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-13-19(17,18)16-11-7-14(2,8-12-16)15-9-5-4-6-10-15/h3-13H2,1-2H3
InChIKeyCYDRUYVBEGOBKB-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine?
The IUPAC name of 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine (CID 91065075) is 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine?
The canonical SMILES for 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(C)(N2CCCCC2)CC1.
What is the InChIKey of 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine?
The InChIKey is CYDRUYVBEGOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-13-19(17,18)16-11-7-14(2,8-12-16)15-9-5-4-6-10-15/h3-13H2,1-2H3.
What are the key properties of 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine?
4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine has a molecular weight of 288.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-piperidin-1-yl-1-propylsulfonylpiperidine is sourced from PubChem (CID 91065075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).