1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone

C15H27NO2 — CID 58395174

IUPAC1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
SMILESCC(C)(C)C1CCCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-6-4-8-16(11-12)14(17)10-13-7-5-9-18-13/h12-13H,4-11H2,1-3H3
InChIKeyJLFKGKLJDZNRSE-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds2

About 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone

1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone (PubChem CID 58395174) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
PubChem CID58395174
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
SMILESCC(C)(C)C1CCCN(C(=O)CC2CCCO2)C1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-6-4-8-16(11-12)14(17)10-13-7-5-9-18-13/h12-13H,4-11H2,1-3H3
InChIKeyJLFKGKLJDZNRSE-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone (CID 58395174) is 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone is CC(C)(C)C1CCCN(C(=O)CC2CCCO2)C1.
What is the InChIKey of 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
The InChIKey is JLFKGKLJDZNRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)12-6-4-8-16(11-12)14(17)10-13-7-5-9-18-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone?
1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 58395174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).