1-(2H-pyran-2-yl)piperazine

C9H14N2O — CID 70628051

IUPAC1-(2H-pyran-2-yl)piperazine
SMILESC1=COC(N2CCNCC2)C=C1
InChIInChI=1S/C9H14N2O/c1-2-8-12-9(3-1)11-6-4-10-5-7-11/h1-3,8-10H,4-7H2
InChIKeyXMWBBUBCSTYUPK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.32
Rot. Bonds1

About 1-(2H-pyran-2-yl)piperazine

1-(2H-pyran-2-yl)piperazine (PubChem CID 70628051) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2H-pyran-2-yl)piperazine.

Molecular Properties

Compound Name1-(2H-pyran-2-yl)piperazine
PubChem CID70628051
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2H-pyran-2-yl)piperazine
SMILESC1=COC(N2CCNCC2)C=C1
InChIInChI=1S/C9H14N2O/c1-2-8-12-9(3-1)11-6-4-10-5-7-11/h1-3,8-10H,4-7H2
InChIKeyXMWBBUBCSTYUPK-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2H-pyran-2-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-2-yl)piperazine?
The IUPAC name of 1-(2H-pyran-2-yl)piperazine (CID 70628051) is 1-(2H-pyran-2-yl)piperazine.
What is the SMILES notation for 1-(2H-pyran-2-yl)piperazine?
The canonical SMILES for 1-(2H-pyran-2-yl)piperazine is C1=COC(N2CCNCC2)C=C1.
What is the InChIKey of 1-(2H-pyran-2-yl)piperazine?
The InChIKey is XMWBBUBCSTYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-8-12-9(3-1)11-6-4-10-5-7-11/h1-3,8-10H,4-7H2.
What are the key properties of 1-(2H-pyran-2-yl)piperazine?
1-(2H-pyran-2-yl)piperazine has a molecular weight of 166.22 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-2-yl)piperazine is sourced from PubChem (CID 70628051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).