1-(4-tert-butylpiperidin-1-yl)ethanone

C11H21NO — CID 20754718

IUPAC1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21NO/c1-9(13)12-7-5-10(6-8-12)11(2,3)4/h10H,5-8H2,1-4H3
InChIKeyVFWPPECLFVTUHI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds

About 1-(4-tert-butylpiperidin-1-yl)ethanone

1-(4-tert-butylpiperidin-1-yl)ethanone (PubChem CID 20754718) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)ethanone
PubChem CID20754718
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(4-tert-butylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21NO/c1-9(13)12-7-5-10(6-8-12)11(2,3)4/h10H,5-8H2,1-4H3
InChIKeyVFWPPECLFVTUHI-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)ethanone (CID 20754718) is 1-(4-tert-butylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)ethanone is CC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)ethanone?
The InChIKey is VFWPPECLFVTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)12-7-5-10(6-8-12)11(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)ethanone?
1-(4-tert-butylpiperidin-1-yl)ethanone has a molecular weight of 183.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)ethanone is sourced from PubChem (CID 20754718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).