1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one

C11H20N2O2 — CID 67085501

IUPAC1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one
SMILESO=C1CNCCN1C1CCC(CO)CC1
InChIInChI=1S/C11H20N2O2/c14-8-9-1-3-10(4-2-9)13-6-5-12-7-11(13)15/h9-10,12,14H,1-8H2
InChIKeyQYRJITIQDUSRDB-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds2

About 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one

1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one (PubChem CID 67085501) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one
PubChem CID67085501
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one
SMILESO=C1CNCCN1C1CCC(CO)CC1
InChIInChI=1S/C11H20N2O2/c14-8-9-1-3-10(4-2-9)13-6-5-12-7-11(13)15/h9-10,12,14H,1-8H2
InChIKeyQYRJITIQDUSRDB-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one (CID 67085501) is 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one is O=C1CNCCN1C1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one?
The InChIKey is QYRJITIQDUSRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-8-9-1-3-10(4-2-9)13-6-5-12-7-11(13)15/h9-10,12,14H,1-8H2.
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one?
1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one has a molecular weight of 212.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]piperazin-2-one is sourced from PubChem (CID 67085501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).