4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine

C17H35NS — CID 170018540

IUPAC4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine
SMILESCSC(C)CCCCN1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C17H35NS/c1-15(19-6)9-7-8-12-18-13-10-17(5,11-14-18)16(2,3)4/h15H,7-14H2,1-6H3
InChIKeyGWWBEQNRDJIYDI-UHFFFAOYSA-N
MW285.54 g/mol
LogP5.06
Rot. Bonds6

About 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine

4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine (PubChem CID 170018540) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine
PubChem CID170018540
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC Name4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine
SMILESCSC(C)CCCCN1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C17H35NS/c1-15(19-6)9-7-8-12-18-13-10-17(5,11-14-18)16(2,3)4/h15H,7-14H2,1-6H3
InChIKeyGWWBEQNRDJIYDI-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine?
The IUPAC name of 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine (CID 170018540) is 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine is CSC(C)CCCCN1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine?
The InChIKey is GWWBEQNRDJIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-15(19-6)9-7-8-12-18-13-10-17(5,11-14-18)16(2,3)4/h15H,7-14H2,1-6H3.
What are the key properties of 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine?
4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine has a molecular weight of 285.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine is sourced from PubChem (CID 170018540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).