4-tert-butyl-1-(2-methylsulfanylethyl)piperidine

C12H25NS — CID 129147884

IUPAC4-tert-butyl-1-(2-methylsulfanylethyl)piperidine
SMILESCSCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25NS/c1-12(2,3)11-5-7-13(8-6-11)9-10-14-4/h11H,5-10H2,1-4H3
InChIKeyXUADIDHKAYYWEU-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.11
Rot. Bonds3

About 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine

4-tert-butyl-1-(2-methylsulfanylethyl)piperidine (PubChem CID 129147884) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(2-methylsulfanylethyl)piperidine
PubChem CID129147884
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-tert-butyl-1-(2-methylsulfanylethyl)piperidine
SMILESCSCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25NS/c1-12(2,3)11-5-7-13(8-6-11)9-10-14-4/h11H,5-10H2,1-4H3
InChIKeyXUADIDHKAYYWEU-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine (CID 129147884) is 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine is CSCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine?
The InChIKey is XUADIDHKAYYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2,3)11-5-7-13(8-6-11)9-10-14-4/h11H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine?
4-tert-butyl-1-(2-methylsulfanylethyl)piperidine has a molecular weight of 215.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-methylsulfanylethyl)piperidine is sourced from PubChem (CID 129147884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).