3-tert-butyl-3-ethylpiperidine

C11H23N — CID 89426414

IUPAC3-tert-butyl-3-ethylpiperidine
SMILESCCC1(C(C)(C)C)CCCNC1
InChIInChI=1S/C11H23N/c1-5-11(10(2,3)4)7-6-8-12-9-11/h12H,5-9H2,1-4H3
InChIKeyCGQNYKDSSJWAHV-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds1

About 3-tert-butyl-3-ethylpiperidine

3-tert-butyl-3-ethylpiperidine (PubChem CID 89426414) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-tert-butyl-3-ethylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-3-ethylpiperidine
PubChem CID89426414
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-tert-butyl-3-ethylpiperidine
SMILESCCC1(C(C)(C)C)CCCNC1
InChIInChI=1S/C11H23N/c1-5-11(10(2,3)4)7-6-8-12-9-11/h12H,5-9H2,1-4H3
InChIKeyCGQNYKDSSJWAHV-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-ethylpiperidine?
The IUPAC name of 3-tert-butyl-3-ethylpiperidine (CID 89426414) is 3-tert-butyl-3-ethylpiperidine.
What is the SMILES notation for 3-tert-butyl-3-ethylpiperidine?
The canonical SMILES for 3-tert-butyl-3-ethylpiperidine is CCC1(C(C)(C)C)CCCNC1.
What is the InChIKey of 3-tert-butyl-3-ethylpiperidine?
The InChIKey is CGQNYKDSSJWAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-11(10(2,3)4)7-6-8-12-9-11/h12H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-3-ethylpiperidine?
3-tert-butyl-3-ethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-ethylpiperidine is sourced from PubChem (CID 89426414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).