3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one

C11H17NO2 — CID 104788012

IUPAC3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCC1(O)CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C11H17NO2/c1-11(14)4-6-12(7-5-11)9-2-3-10(13)8-9/h8,14H,2-7H2,1H3
InChIKeyVBMAZQOGYUWJJC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.08
Rot. Bonds1

About 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one

3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one (PubChem CID 104788012) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
PubChem CID104788012
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCC1(O)CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C11H17NO2/c1-11(14)4-6-12(7-5-11)9-2-3-10(13)8-9/h8,14H,2-7H2,1H3
InChIKeyVBMAZQOGYUWJJC-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one
CID 104787803
3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one
CID 103534416
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
1-(4-hydroxyphenyl)-4-methylpiperidin-4-ol
CID 115025215
4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
CID 80702471
3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one
CID 130920843
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopent-2-en-1-one
CID 104787902
4-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)benzaldehyde
CID 166087383
1-(3-amino-6-methoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 115320981
5-bromo-4-(4-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136958031
1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol
CID 166918614
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one (CID 104788012) is 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one is CC1(O)CCN(C2=CC(=O)CC2)CC1.
What is the InChIKey of 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is VBMAZQOGYUWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(14)4-6-12(7-5-11)9-2-3-10(13)8-9/h8,14H,2-7H2,1H3.
What are the key properties of 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 104788012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).