1-(3,6-dihydro-2H-pyran-2-yl)piperazine

C9H16N2O — CID 90428556

IUPAC1-(3,6-dihydro-2H-pyran-2-yl)piperazine
SMILESC1=CCC(N2CCNCC2)OC1
InChIInChI=1S/C9H16N2O/c1-2-8-12-9(3-1)11-6-4-10-5-7-11/h1-2,9-10H,3-8H2
InChIKeyCPXZFJNWLMLOEO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.19
Rot. Bonds1

About 1-(3,6-dihydro-2H-pyran-2-yl)piperazine

1-(3,6-dihydro-2H-pyran-2-yl)piperazine (PubChem CID 90428556) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-2-yl)piperazine
PubChem CID90428556
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3,6-dihydro-2H-pyran-2-yl)piperazine
SMILESC1=CCC(N2CCNCC2)OC1
InChIInChI=1S/C9H16N2O/c1-2-8-12-9(3-1)11-6-4-10-5-7-11/h1-2,9-10H,3-8H2
InChIKeyCPXZFJNWLMLOEO-UHFFFAOYSA-N
XLogP0.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-2-yl)piperazine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-2-yl)piperazine (CID 90428556) is 1-(3,6-dihydro-2H-pyran-2-yl)piperazine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-2-yl)piperazine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-2-yl)piperazine is C1=CCC(N2CCNCC2)OC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-2-yl)piperazine?
The InChIKey is CPXZFJNWLMLOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-8-12-9(3-1)11-6-4-10-5-7-11/h1-2,9-10H,3-8H2.
What are the key properties of 1-(3,6-dihydro-2H-pyran-2-yl)piperazine?
1-(3,6-dihydro-2H-pyran-2-yl)piperazine has a molecular weight of 168.24 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-2-yl)piperazine is sourced from PubChem (CID 90428556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).