4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine

C14H28N2O2S — CID 62085790

IUPAC4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-14(2,3)12-6-10-16(11-7-12)19(17,18)13-4-8-15-9-5-13/h12-13,15H,4-11H2,1-3H3
InChIKeyJBUPENKIWZXHSR-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.83
Rot. Bonds2

About 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine

4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine (PubChem CID 62085790) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine
PubChem CID62085790
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-14(2,3)12-6-10-16(11-7-12)19(17,18)13-4-8-15-9-5-13/h12-13,15H,4-11H2,1-3H3
InChIKeyJBUPENKIWZXHSR-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine?
The IUPAC name of 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine (CID 62085790) is 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine?
The canonical SMILES for 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine is CC(C)(C)C1CCN(S(=O)(=O)C2CCNCC2)CC1.
What is the InChIKey of 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine?
The InChIKey is JBUPENKIWZXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-14(2,3)12-6-10-16(11-7-12)19(17,18)13-4-8-15-9-5-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine?
4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine has a molecular weight of 288.46 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-piperidin-4-ylsulfonylpiperidine is sourced from PubChem (CID 62085790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).