1-(6-chloro-2H-pyran-2-yl)piperazine

C9H13ClN2O — CID 70630626

IUPAC1-(6-chloro-2H-pyran-2-yl)piperazine
SMILESClC1=CC=CC(N2CCNCC2)O1
InChIInChI=1S/C9H13ClN2O/c10-8-2-1-3-9(13-8)12-6-4-11-5-7-12/h1-3,9,11H,4-7H2
InChIKeyLOQYQWPNNWZROD-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.88
Rot. Bonds1

About 1-(6-chloro-2H-pyran-2-yl)piperazine

1-(6-chloro-2H-pyran-2-yl)piperazine (PubChem CID 70630626) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(6-chloro-2H-pyran-2-yl)piperazine.

Molecular Properties

Compound Name1-(6-chloro-2H-pyran-2-yl)piperazine
PubChem CID70630626
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(6-chloro-2H-pyran-2-yl)piperazine
SMILESClC1=CC=CC(N2CCNCC2)O1
InChIInChI=1S/C9H13ClN2O/c10-8-2-1-3-9(13-8)12-6-4-11-5-7-12/h1-3,9,11H,4-7H2
InChIKeyLOQYQWPNNWZROD-UHFFFAOYSA-N
XLogP0.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2H-pyran-2-yl)piperazine?
The IUPAC name of 1-(6-chloro-2H-pyran-2-yl)piperazine (CID 70630626) is 1-(6-chloro-2H-pyran-2-yl)piperazine.
What is the SMILES notation for 1-(6-chloro-2H-pyran-2-yl)piperazine?
The canonical SMILES for 1-(6-chloro-2H-pyran-2-yl)piperazine is ClC1=CC=CC(N2CCNCC2)O1.
What is the InChIKey of 1-(6-chloro-2H-pyran-2-yl)piperazine?
The InChIKey is LOQYQWPNNWZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-8-2-1-3-9(13-8)12-6-4-11-5-7-12/h1-3,9,11H,4-7H2.
What are the key properties of 1-(6-chloro-2H-pyran-2-yl)piperazine?
1-(6-chloro-2H-pyran-2-yl)piperazine has a molecular weight of 200.67 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2H-pyran-2-yl)piperazine is sourced from PubChem (CID 70630626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).