1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone

C13H23NO2 — CID 110407351

IUPAC1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
SMILESCC1CCN(C(=O)CC2CCCCO2)CC1
InChIInChI=1S/C13H23NO2/c1-11-5-7-14(8-6-11)13(15)10-12-4-2-3-9-16-12/h11-12H,2-10H2,1H3
InChIKeyKXNAIMPPEABMBP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone (PubChem CID 110407351) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
PubChem CID110407351
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
SMILESCC1CCN(C(=O)CC2CCCCO2)CC1
InChIInChI=1S/C13H23NO2/c1-11-5-7-14(8-6-11)13(15)10-12-4-2-3-9-16-12/h11-12H,2-10H2,1H3
InChIKeyKXNAIMPPEABMBP-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone (CID 110407351) is 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone is CC1CCN(C(=O)CC2CCCCO2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
The InChIKey is KXNAIMPPEABMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11-5-7-14(8-6-11)13(15)10-12-4-2-3-9-16-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 110407351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).