1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one

C11H20N2O2 — CID 126846921

IUPAC1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one
SMILESO=C1CCN(CC2(O)CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c14-10-1-7-13(8-2-10)9-11(15)3-5-12-6-4-11/h12,15H,1-9H2
InChIKeyBKPIKHBIMPHADL-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.23
Rot. Bonds2

About 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one

1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one (PubChem CID 126846921) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one
PubChem CID126846921
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one
SMILESO=C1CCN(CC2(O)CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c14-10-1-7-13(8-2-10)9-11(15)3-5-12-6-4-11/h12,15H,1-9H2
InChIKeyBKPIKHBIMPHADL-UHFFFAOYSA-N
XLogP-0.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one (CID 126846921) is 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one is O=C1CCN(CC2(O)CCNCC2)CC1.
What is the InChIKey of 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one?
The InChIKey is BKPIKHBIMPHADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-10-1-7-13(8-2-10)9-11(15)3-5-12-6-4-11/h12,15H,1-9H2.
What are the key properties of 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one?
1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one has a molecular weight of 212.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one is sourced from PubChem (CID 126846921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).