1-[1-(oxan-4-yl)ethyl]piperazine

C11H22N2O — CID 83559696

IUPAC1-[1-(oxan-4-yl)ethyl]piperazine
SMILESCC(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H22N2O/c1-10(11-2-8-14-9-3-11)13-6-4-12-5-7-13/h10-12H,2-9H2,1H3
InChIKeySDYNGCKCCNFCQQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 1-[1-(oxan-4-yl)ethyl]piperazine

1-[1-(oxan-4-yl)ethyl]piperazine (PubChem CID 83559696) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)ethyl]piperazine
PubChem CID83559696
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[1-(oxan-4-yl)ethyl]piperazine
SMILESCC(C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H22N2O/c1-10(11-2-8-14-9-3-11)13-6-4-12-5-7-13/h10-12H,2-9H2,1H3
InChIKeySDYNGCKCCNFCQQ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(oxan-4-yl)ethyl]piperazine (CID 83559696) is 1-[1-(oxan-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(oxan-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(oxan-4-yl)ethyl]piperazine is CC(C1CCOCC1)N1CCNCC1.
What is the InChIKey of 1-[1-(oxan-4-yl)ethyl]piperazine?
The InChIKey is SDYNGCKCCNFCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(11-2-8-14-9-3-11)13-6-4-12-5-7-13/h10-12H,2-9H2,1H3.
What are the key properties of 1-[1-(oxan-4-yl)ethyl]piperazine?
1-[1-(oxan-4-yl)ethyl]piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)ethyl]piperazine is sourced from PubChem (CID 83559696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).