1-tert-butyl-4-ethylpiperidin-4-ol

C11H23NO — CID 58889957

IUPAC1-tert-butyl-4-ethylpiperidin-4-ol
SMILESCCC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23NO/c1-5-11(13)6-8-12(9-7-11)10(2,3)4/h13H,5-9H2,1-4H3
InChIKeyFLRHMHFXFVZXBC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds1

About 1-tert-butyl-4-ethylpiperidin-4-ol

1-tert-butyl-4-ethylpiperidin-4-ol (PubChem CID 58889957) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-ethylpiperidin-4-ol
PubChem CID58889957
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-tert-butyl-4-ethylpiperidin-4-ol
SMILESCCC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23NO/c1-5-11(13)6-8-12(9-7-11)10(2,3)4/h13H,5-9H2,1-4H3
InChIKeyFLRHMHFXFVZXBC-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylpiperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-ethylpiperidin-4-ol (CID 58889957) is 1-tert-butyl-4-ethylpiperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-ethylpiperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-ethylpiperidin-4-ol is CCC1(O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethylpiperidin-4-ol?
The InChIKey is FLRHMHFXFVZXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(13)6-8-12(9-7-11)10(2,3)4/h13H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethylpiperidin-4-ol?
1-tert-butyl-4-ethylpiperidin-4-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylpiperidin-4-ol is sourced from PubChem (CID 58889957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).