4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one

C15H27NO2 — CID 115276559

IUPAC4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one
SMILESCC1(C)CN(C(=O)CCCC2CCC2)CCC1O
InChIInChI=1S/C15H27NO2/c1-15(2)11-16(10-9-13(15)17)14(18)8-4-7-12-5-3-6-12/h12-13,17H,3-11H2,1-2H3
InChIKeyLUYDXVQODUDSSW-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.58
Rot. Bonds4

About 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one

4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one (PubChem CID 115276559) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one
PubChem CID115276559
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one
SMILESCC1(C)CN(C(=O)CCCC2CCC2)CCC1O
InChIInChI=1S/C15H27NO2/c1-15(2)11-16(10-9-13(15)17)14(18)8-4-7-12-5-3-6-12/h12-13,17H,3-11H2,1-2H3
InChIKeyLUYDXVQODUDSSW-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one (CID 115276559) is 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one is CC1(C)CN(C(=O)CCCC2CCC2)CCC1O.
What is the InChIKey of 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one?
The InChIKey is LUYDXVQODUDSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2)11-16(10-9-13(15)17)14(18)8-4-7-12-5-3-6-12/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one?
4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 115276559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).