3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one

C12H21NO2 — CID 102960204

IUPAC3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one
SMILESCC1CCN(C2CCCC(=O)C2)CC1O
InChIInChI=1S/C12H21NO2/c1-9-5-6-13(8-12(9)15)10-3-2-4-11(14)7-10/h9-10,12,15H,2-8H2,1H3
InChIKeyREUUIMLJBFIIAP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds1

About 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one

3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one (PubChem CID 102960204) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one
PubChem CID102960204
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one
SMILESCC1CCN(C2CCCC(=O)C2)CC1O
InChIInChI=1S/C12H21NO2/c1-9-5-6-13(8-12(9)15)10-3-2-4-11(14)7-10/h9-10,12,15H,2-8H2,1H3
InChIKeyREUUIMLJBFIIAP-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one?
The IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one (CID 102960204) is 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one is CC1CCN(C2CCCC(=O)C2)CC1O.
What is the InChIKey of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one?
The InChIKey is REUUIMLJBFIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-5-6-13(8-12(9)15)10-3-2-4-11(14)7-10/h9-10,12,15H,2-8H2,1H3.
What are the key properties of 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one?
3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylpiperidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 102960204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).