furan;molecular hydrogen;piperazine

C8H18N2O — CID 142141015

IUPACfuran;molecular hydrogen;piperazine
SMILESC1CNCCN1.[H][H].[H][H].c1ccoc1
InChIInChI=1S/C4H10N2.C4H4O.2H2/c1-2-6-4-3-5-1;1-2-4-5-3-1;;/h5-6H,1-4H2;1-4H;2*1H
InChIKeyBMCKIJKXBXRYMH-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.95
Rot. Bonds

About furan;molecular hydrogen;piperazine

furan;molecular hydrogen;piperazine (PubChem CID 142141015) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is furan;molecular hydrogen;piperazine.

Molecular Properties

Compound Namefuran;molecular hydrogen;piperazine
PubChem CID142141015
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Namefuran;molecular hydrogen;piperazine
SMILESC1CNCCN1.[H][H].[H][H].c1ccoc1
InChIInChI=1S/C4H10N2.C4H4O.2H2/c1-2-6-4-3-5-1;1-2-4-5-3-1;;/h5-6H,1-4H2;1-4H;2*1H
InChIKeyBMCKIJKXBXRYMH-UHFFFAOYSA-N
XLogP0.95
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan;molecular hydrogen;piperazine?
The IUPAC name of furan;molecular hydrogen;piperazine (CID 142141015) is furan;molecular hydrogen;piperazine.
What is the SMILES notation for furan;molecular hydrogen;piperazine?
The canonical SMILES for furan;molecular hydrogen;piperazine is C1CNCCN1.[H][H].[H][H].c1ccoc1.
What is the InChIKey of furan;molecular hydrogen;piperazine?
The InChIKey is BMCKIJKXBXRYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C4H4O.2H2/c1-2-6-4-3-5-1;1-2-4-5-3-1;;/h5-6H,1-4H2;1-4H;2*1H.
What are the key properties of furan;molecular hydrogen;piperazine?
furan;molecular hydrogen;piperazine has a molecular weight of 158.25 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;molecular hydrogen;piperazine is sourced from PubChem (CID 142141015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).