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

C14H24N2O — CID 154649738

IUPAC1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H18N2O.C2H6/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12;1-2/h3,5-6H,2,4,7-10H2,1H3;1-2H3
InChIKeySNHZDKRUXNRGTP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.41
Rot. Bonds1

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

1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane (PubChem CID 154649738) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane
PubChem CID154649738
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H18N2O.C2H6/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12;1-2/h3,5-6H,2,4,7-10H2,1H3;1-2H3
InChIKeySNHZDKRUXNRGTP-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.41
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;ethane?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane (CID 154649738) is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane is CC.CC(=O)N1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane?
The InChIKey is SNHZDKRUXNRGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12;1-2/h3,5-6H,2,4,7-10H2,1H3;1-2H3.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane?
1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)ethanone;ethane has a molecular weight of 236.36 g/mol, XLogP of 2.41, 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;ethane is sourced from PubChem (CID 154649738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).