4-tert-butyl-1,4-diethylpiperidine

C13H27N — CID 122664542

IUPAC4-tert-butyl-1,4-diethylpiperidine
SMILESCCN1CCC(CC)(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-6-13(12(3,4)5)8-10-14(7-2)11-9-13/h6-11H2,1-5H3
InChIKeyPKXPIAQFTLBWJK-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About 4-tert-butyl-1,4-diethylpiperidine

4-tert-butyl-1,4-diethylpiperidine (PubChem CID 122664542) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-tert-butyl-1,4-diethylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1,4-diethylpiperidine
PubChem CID122664542
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-tert-butyl-1,4-diethylpiperidine
SMILESCCN1CCC(CC)(C(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-6-13(12(3,4)5)8-10-14(7-2)11-9-13/h6-11H2,1-5H3
InChIKeyPKXPIAQFTLBWJK-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-diethylpiperidine?
The IUPAC name of 4-tert-butyl-1,4-diethylpiperidine (CID 122664542) is 4-tert-butyl-1,4-diethylpiperidine.
What is the SMILES notation for 4-tert-butyl-1,4-diethylpiperidine?
The canonical SMILES for 4-tert-butyl-1,4-diethylpiperidine is CCN1CCC(CC)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1,4-diethylpiperidine?
The InChIKey is PKXPIAQFTLBWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-13(12(3,4)5)8-10-14(7-2)11-9-13/h6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-1,4-diethylpiperidine?
4-tert-butyl-1,4-diethylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,4-diethylpiperidine is sourced from PubChem (CID 122664542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).