1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one

C14H23NO2 — CID 102651013

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCO1)N1CCCCC1
InChIInChI=1S/C14H23NO2/c1-3-14(2,15-9-5-4-6-10-15)13(16)12-8-7-11-17-12/h8H,3-7,9-11H2,1-2H3
InChIKeyOOBZDBYGPITOHD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one

1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one (PubChem CID 102651013) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
PubChem CID102651013
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCO1)N1CCCCC1
InChIInChI=1S/C14H23NO2/c1-3-14(2,15-9-5-4-6-10-15)13(16)12-8-7-11-17-12/h8H,3-7,9-11H2,1-2H3
InChIKeyOOBZDBYGPITOHD-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one (CID 102651013) is 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one is CCC(C)(C(=O)C1=CCCO1)N1CCCCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
The InChIKey is OOBZDBYGPITOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-14(2,15-9-5-4-6-10-15)13(16)12-8-7-11-17-12/h8H,3-7,9-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 102651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).