3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one

C13H21NO2 — CID 154691833

IUPAC3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(N2CCC(O)CC2)C1
InChIInChI=1S/C13H21NO2/c1-13(2)8-10(7-12(16)9-13)14-5-3-11(15)4-6-14/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyHCWARDPHDMYCQM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds1

About 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one

3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 154691833) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID154691833
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(N2CCC(O)CC2)C1
InChIInChI=1S/C13H21NO2/c1-13(2)8-10(7-12(16)9-13)14-5-3-11(15)4-6-14/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyHCWARDPHDMYCQM-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one (CID 154691833) is 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C=C(N2CCC(O)CC2)C1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is HCWARDPHDMYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2)8-10(7-12(16)9-13)14-5-3-11(15)4-6-14/h7,11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one?
3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 154691833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).