4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine

C15H22N2O2S — CID 126809932

IUPAC4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
SMILESO=S(=O)(CC1CCC1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,12-13-2-1-3-13)17-10-6-15(7-11-17)14-4-8-16-9-5-14/h4-5,8-9,13,15H,1-3,6-7,10-12H2
InChIKeyNWYKZBZUILMUIG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.39
Rot. Bonds4

About 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine

4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine (PubChem CID 126809932) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
PubChem CID126809932
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
SMILESO=S(=O)(CC1CCC1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,12-13-2-1-3-13)17-10-6-15(7-11-17)14-4-8-16-9-5-14/h4-5,8-9,13,15H,1-3,6-7,10-12H2
InChIKeyNWYKZBZUILMUIG-UHFFFAOYSA-N
XLogP2.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine (CID 126809932) is 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine is O=S(=O)(CC1CCC1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine?
The InChIKey is NWYKZBZUILMUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,12-13-2-1-3-13)17-10-6-15(7-11-17)14-4-8-16-9-5-14/h4-5,8-9,13,15H,1-3,6-7,10-12H2.
What are the key properties of 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine?
4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine has a molecular weight of 294.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 126809932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).