1-(4-cyclohexylpiperazin-1-yl)ethanone

C12H22N2O — CID 17249095

IUPAC1-(4-cyclohexylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h12H,2-10H2,1H3
InChIKeyHOHAKIGCFPDJJI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds1

About 1-(4-cyclohexylpiperazin-1-yl)ethanone

1-(4-cyclohexylpiperazin-1-yl)ethanone (PubChem CID 17249095) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)ethanone
PubChem CID17249095
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h12H,2-10H2,1H3
InChIKeyHOHAKIGCFPDJJI-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)ethanone (CID 17249095) is 1-(4-cyclohexylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)ethanone?
The InChIKey is HOHAKIGCFPDJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h12H,2-10H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)ethanone?
1-(4-cyclohexylpiperazin-1-yl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)ethanone is sourced from PubChem (CID 17249095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).