1-(2H-pyran-5-yl)piperazine

C9H14N2O — CID 22461532

IUPAC1-(2H-pyran-5-yl)piperazine
SMILESC1=CC(N2CCNCC2)=COC1
InChIInChI=1S/C9H14N2O/c1-2-9(8-12-7-1)11-5-3-10-4-6-11/h1-2,8,10H,3-7H2
InChIKeyPUDQKUGVYFEZSX-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.32
Rot. Bonds1

About 1-(2H-pyran-5-yl)piperazine

1-(2H-pyran-5-yl)piperazine (PubChem CID 22461532) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2H-pyran-5-yl)piperazine.

Molecular Properties

Compound Name1-(2H-pyran-5-yl)piperazine
PubChem CID22461532
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2H-pyran-5-yl)piperazine
SMILESC1=CC(N2CCNCC2)=COC1
InChIInChI=1S/C9H14N2O/c1-2-9(8-12-7-1)11-5-3-10-4-6-11/h1-2,8,10H,3-7H2
InChIKeyPUDQKUGVYFEZSX-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

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Related Compounds

1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine
CID 145096196
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-1,3,5-trien-3-yl)piperazine
CID 123992968
1-(2H-pyran-4-yl)piperidin-3-amine
CID 141115860
1-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperazine
CID 141788352
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]piperazine
CID 142202925
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942
1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine
CID 143225680
1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
CID 143382290
acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine
CID 144654113

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-5-yl)piperazine?
The IUPAC name of 1-(2H-pyran-5-yl)piperazine (CID 22461532) is 1-(2H-pyran-5-yl)piperazine.
What is the SMILES notation for 1-(2H-pyran-5-yl)piperazine?
The canonical SMILES for 1-(2H-pyran-5-yl)piperazine is C1=CC(N2CCNCC2)=COC1.
What is the InChIKey of 1-(2H-pyran-5-yl)piperazine?
The InChIKey is PUDQKUGVYFEZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(8-12-7-1)11-5-3-10-4-6-11/h1-2,8,10H,3-7H2.
What are the key properties of 1-(2H-pyran-5-yl)piperazine?
1-(2H-pyran-5-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-5-yl)piperazine is sourced from PubChem (CID 22461532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).