ethane;1-(2H-pyran-4-yl)piperazine

C11H20N2O — CID 178177938

IUPACethane;1-(2H-pyran-4-yl)piperazine
SMILESC1=CC(N2CCNCC2)=CCO1.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;1-2/h1-2,7,10H,3-6,8H2;1-2H3
InChIKeyUVEDKBMTKLWEGH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.35
Rot. Bonds1

About ethane;1-(2H-pyran-4-yl)piperazine

ethane;1-(2H-pyran-4-yl)piperazine (PubChem CID 178177938) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;1-(2H-pyran-4-yl)piperazine.

Molecular Properties

Compound Nameethane;1-(2H-pyran-4-yl)piperazine
PubChem CID178177938
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;1-(2H-pyran-4-yl)piperazine
SMILESC1=CC(N2CCNCC2)=CCO1.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;1-2/h1-2,7,10H,3-6,8H2;1-2H3
InChIKeyUVEDKBMTKLWEGH-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2E,4Z)-6-(trifluoromethoxy)hepta-2,4,6-trien-3-yl]piperazine
CID 155274268
1-(2H-pyran-5-yl)piperazine
CID 22461532
4-N,5-N-dipropyl-2H-pyran-4,5-diamine
CID 23374279
1-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
CID 58594655
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
1-(2H-pyran-2-yl)piperazine
CID 70628051
1-(6-chloro-2H-pyran-2-yl)piperazine
CID 70630626
1-(5-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 91072400
N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 123324320
1-(1-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123502190
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2H-pyran-4-yl)piperazine?
The IUPAC name of ethane;1-(2H-pyran-4-yl)piperazine (CID 178177938) is ethane;1-(2H-pyran-4-yl)piperazine.
What is the SMILES notation for ethane;1-(2H-pyran-4-yl)piperazine?
The canonical SMILES for ethane;1-(2H-pyran-4-yl)piperazine is C1=CC(N2CCNCC2)=CCO1.CC.
What is the InChIKey of ethane;1-(2H-pyran-4-yl)piperazine?
The InChIKey is UVEDKBMTKLWEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;1-2/h1-2,7,10H,3-6,8H2;1-2H3.
What are the key properties of ethane;1-(2H-pyran-4-yl)piperazine?
ethane;1-(2H-pyran-4-yl)piperazine has a molecular weight of 196.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2H-pyran-4-yl)piperazine is sourced from PubChem (CID 178177938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).