3-cyclohexyl-1-piperazin-1-ylpropan-1-one

C13H24N2O — CID 16769916

IUPAC3-cyclohexyl-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h12,14H,1-11H2
InChIKeyOMUGUMYARREANB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds3

About 3-cyclohexyl-1-piperazin-1-ylpropan-1-one

3-cyclohexyl-1-piperazin-1-ylpropan-1-one (PubChem CID 16769916) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-piperazin-1-ylpropan-1-one
PubChem CID16769916
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-cyclohexyl-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h12,14H,1-11H2
InChIKeyOMUGUMYARREANB-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-cyclohexyl-1-piperazin-1-ylpropan-1-one (CID 16769916) is 3-cyclohexyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-cyclohexyl-1-piperazin-1-ylpropan-1-one is O=C(CCC1CCCCC1)N1CCNCC1.
What is the InChIKey of 3-cyclohexyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is OMUGUMYARREANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h12,14H,1-11H2.
What are the key properties of 3-cyclohexyl-1-piperazin-1-ylpropan-1-one?
3-cyclohexyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 16769916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).