5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one

C15H27NO3 — CID 82690864

IUPAC5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CCC(CN2CCC(OCCO)CC2)C1=O
InChIInChI=1S/C15H27NO3/c1-15(2)6-3-12(14(15)18)11-16-7-4-13(5-8-16)19-10-9-17/h12-13,17H,3-11H2,1-2H3
InChIKeyYMAHKZUDRVKGLR-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.47
Rot. Bonds5

About 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one

5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 82690864) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID82690864
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC1(C)CCC(CN2CCC(OCCO)CC2)C1=O
InChIInChI=1S/C15H27NO3/c1-15(2)6-3-12(14(15)18)11-16-7-4-13(5-8-16)19-10-9-17/h12-13,17H,3-11H2,1-2H3
InChIKeyYMAHKZUDRVKGLR-UHFFFAOYSA-N
XLogP1.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one (CID 82690864) is 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one is CC1(C)CCC(CN2CCC(OCCO)CC2)C1=O.
What is the InChIKey of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is YMAHKZUDRVKGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2)6-3-12(14(15)18)11-16-7-4-13(5-8-16)19-10-9-17/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 269.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 82690864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).