1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone

C12H18N2O — CID 22485371

IUPAC1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H18N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h3,5-6H,2,4,7-10H2,1H3
InChIKeyWRCVUMBHOCTUDA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.38
Rot. Bonds1

About 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone

1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone (PubChem CID 22485371) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone
PubChem CID22485371
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H18N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h3,5-6H,2,4,7-10H2,1H3
InChIKeyWRCVUMBHOCTUDA-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone (CID 22485371) is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone?
The InChIKey is WRCVUMBHOCTUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h3,5-6H,2,4,7-10H2,1H3.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone?
1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 22485371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).