5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one

C15H27NO2 — CID 107228813

IUPAC5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CCC(CN2CCCC(CCO)C2)C1=O
InChIInChI=1S/C15H27NO2/c1-15(2)7-5-13(14(15)18)11-16-8-3-4-12(10-16)6-9-17/h12-13,17H,3-11H2,1-2H3
InChIKeyUEQAUXPNYIRGTR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.09
Rot. Bonds4

About 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one

5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 107228813) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID107228813
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CCC(CN2CCCC(CCO)C2)C1=O
InChIInChI=1S/C15H27NO2/c1-15(2)7-5-13(14(15)18)11-16-8-3-4-12(10-16)6-9-17/h12-13,17H,3-11H2,1-2H3
InChIKeyUEQAUXPNYIRGTR-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one with MolForge

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Related Compounds

2,2-dimethyl-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 79866261
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one
CID 107228846
4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 107229016
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 82690864
6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 114681871
2,2-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-one
CID 79866689
2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one
CID 79867102
5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 102936279
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
6-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 81098024
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933867

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one (CID 107228813) is 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one is CC1(C)CCC(CN2CCCC(CCO)C2)C1=O.
What is the InChIKey of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is UEQAUXPNYIRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2)7-5-13(14(15)18)11-16-8-3-4-12(10-16)6-9-17/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 107228813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).